2-[[5-(carbamoylamino)-2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanoyl]amino]ethyl 2,2-dimethylpropanoate;2-methylpropane

C23H47N5O5 — CID 142543353

IUPAC2-[[5-(carbamoylamino)-2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanoyl]amino]ethyl 2,2-dimethylpropanoate;2-methylpropane
SMILESCC(C)C.CNC(C(=O)NC(CCCNC(N)=O)C(=O)NCCOC(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C19H37N5O5.C4H10/c1-12(2)14(21-6)16(26)24-13(8-7-9-23-18(20)28)15(25)22-10-11-29-17(27)19(3,4)5;1-4(2)3/h12-14,21H,7-11H2,1-6H3,(H,22,25)(H,24,26)(H3,20,23,28);4H,1-3H3
InChIKeyOSHBFYUSNIAKEI-UHFFFAOYSA-N
MW473.66 g/mol
LogP1.53
Rot. Bonds12

About 2-[[5-(carbamoylamino)-2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanoyl]amino]ethyl 2,2-dimethylpropanoate;2-methylpropane

2-[[5-(carbamoylamino)-2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanoyl]amino]ethyl 2,2-dimethylpropanoate;2-methylpropane (PubChem CID 142543353) has the molecular formula C23H47N5O5 and a molecular weight of 473.66 g/mol. Its IUPAC name is 2-[[5-(carbamoylamino)-2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanoyl]amino]ethyl 2,2-dimethylpropanoate;2-methylpropane.

Molecular Properties

Compound Name2-[[5-(carbamoylamino)-2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanoyl]amino]ethyl 2,2-dimethylpropanoate;2-methylpropane
PubChem CID142543353
Molecular FormulaC23H47N5O5
Molecular Weight473.66 g/mol
Exact Mass473.36
IUPAC Name2-[[5-(carbamoylamino)-2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanoyl]amino]ethyl 2,2-dimethylpropanoate;2-methylpropane
SMILESCC(C)C.CNC(C(=O)NC(CCCNC(N)=O)C(=O)NCCOC(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C19H37N5O5.C4H10/c1-12(2)14(21-6)16(26)24-13(8-7-9-23-18(20)28)15(25)22-10-11-29-17(27)19(3,4)5;1-4(2)3/h12-14,21H,7-11H2,1-6H3,(H,22,25)(H,24,26)(H3,20,23,28);4H,1-3H3
InChIKeyOSHBFYUSNIAKEI-UHFFFAOYSA-N
XLogP1.53
TPSA151.65 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.66
LogP ≤ 51.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate
CID 166979839
N-[1-(carbamoylamino)-5-oxoheptan-4-yl]-3-methyl-2-(methylamino)butanamide
CID 126714803
N-[1-(carbamoylamino)-5-oxoheptan-4-yl]-3-methyl-2-(methylamino)butanamide;ethane
CID 178057919
(2S)-N-[(3S)-6-(carbamoylamino)-1-methylsulfanyl-2-oxohexan-3-yl]-3-methyl-2-(methylamino)butanamide
CID 166767033
(2S)-N-tert-butyl-5-(carbamoylamino)-2-[[(2S)-2-(ethylamino)-3-methylbutanoyl]amino]pentanamide
CID 170038657
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(propan-2-ylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate
CID 138482614
(2S)-2-(tert-butylamino)-N-[(4S)-1-(carbamoylamino)-6-methyl-5-oxoheptan-4-yl]-3-methylbutanamide
CID 149486153
tert-butyl (2S)-2-[[(2S)-2-(tert-butylamino)-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoate
CID 129302870
(2S)-N-[(2S)-5-(carbamoylamino)-1-oxopentan-2-yl]-3-methyl-2-(methylamino)butanamide
CID 126596000
2-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(methylamino)pentanoyl]amino]pentanoyl]amino]ethyl-methylphosphinic acid
CID 118362398
CID 174022503
CID 174022503
(2S)-2-[[(2S)-3-amino-2-(methylamino)propanoyl]amino]-N-[(4S)-1-(carbamoylamino)-6-methyl-5-oxoheptan-4-yl]-3-methylbutanamide
CID 170206345

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(carbamoylamino)-2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanoyl]amino]ethyl 2,2-dimethylpropanoate;2-methylpropane?
The IUPAC name of 2-[[5-(carbamoylamino)-2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanoyl]amino]ethyl 2,2-dimethylpropanoate;2-methylpropane (CID 142543353) is 2-[[5-(carbamoylamino)-2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanoyl]amino]ethyl 2,2-dimethylpropanoate;2-methylpropane.
What is the SMILES notation for 2-[[5-(carbamoylamino)-2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanoyl]amino]ethyl 2,2-dimethylpropanoate;2-methylpropane?
The canonical SMILES for 2-[[5-(carbamoylamino)-2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanoyl]amino]ethyl 2,2-dimethylpropanoate;2-methylpropane is CC(C)C.CNC(C(=O)NC(CCCNC(N)=O)C(=O)NCCOC(=O)C(C)(C)C)C(C)C.
What is the InChIKey of 2-[[5-(carbamoylamino)-2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanoyl]amino]ethyl 2,2-dimethylpropanoate;2-methylpropane?
The InChIKey is OSHBFYUSNIAKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O5.C4H10/c1-12(2)14(21-6)16(26)24-13(8-7-9-23-18(20)28)15(25)22-10-11-29-17(27)19(3,4)5;1-4(2)3/h12-14,21H,7-11H2,1-6H3,(H,22,25)(H,24,26)(H3,20,23,28);4H,1-3H3.
What are the key properties of 2-[[5-(carbamoylamino)-2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanoyl]amino]ethyl 2,2-dimethylpropanoate;2-methylpropane?
2-[[5-(carbamoylamino)-2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanoyl]amino]ethyl 2,2-dimethylpropanoate;2-methylpropane has a molecular weight of 473.66 g/mol, XLogP of 1.53, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(carbamoylamino)-2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanoyl]amino]ethyl 2,2-dimethylpropanoate;2-methylpropane is sourced from PubChem (CID 142543353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).