5-[[(2S)-3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl]amino]hexan-2-yl 4-methyl-2-(propan-2-ylamino)pentanoate

C23H46N2O4 — CID 126704364

IUPAC5-[[(2S)-3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl]amino]hexan-2-yl 4-methyl-2-(propan-2-ylamino)pentanoate
SMILESCC(C)CC(NC(C)C)C(=O)OC(C)CCC(C)N[C@H](C(=O)OC(C)C)C(C)C
InChIInChI=1S/C23H46N2O4/c1-14(2)13-20(24-16(5)6)22(26)29-19(10)12-11-18(9)25-21(15(3)4)23(27)28-17(7)8/h14-21,24-25H,11-13H2,1-10H3/t18?,19?,20?,21-/m0/s1
InChIKeyVKVPXLCPCBISLP-FNNAPWSISA-N
MW414.63 g/mol
LogP4.07
Rot. Bonds14

About 5-[[(2S)-3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl]amino]hexan-2-yl 4-methyl-2-(propan-2-ylamino)pentanoate

5-[[(2S)-3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl]amino]hexan-2-yl 4-methyl-2-(propan-2-ylamino)pentanoate (PubChem CID 126704364) has the molecular formula C23H46N2O4 and a molecular weight of 414.63 g/mol. Its IUPAC name is 5-[[(2S)-3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl]amino]hexan-2-yl 4-methyl-2-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Name5-[[(2S)-3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl]amino]hexan-2-yl 4-methyl-2-(propan-2-ylamino)pentanoate
PubChem CID126704364
Molecular FormulaC23H46N2O4
Molecular Weight414.63 g/mol
Exact Mass414.35
IUPAC Name5-[[(2S)-3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl]amino]hexan-2-yl 4-methyl-2-(propan-2-ylamino)pentanoate
SMILESCC(C)CC(NC(C)C)C(=O)OC(C)CCC(C)N[C@H](C(=O)OC(C)C)C(C)C
InChIInChI=1S/C23H46N2O4/c1-14(2)13-20(24-16(5)6)22(26)29-19(10)12-11-18(9)25-21(15(3)4)23(27)28-17(7)8/h14-21,24-25H,11-13H2,1-10H3/t18?,19?,20?,21-/m0/s1
InChIKeyVKVPXLCPCBISLP-FNNAPWSISA-N
XLogP4.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.63
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[(2S)-3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl]amino]hexan-2-yl 4-methyl-2-(propan-2-ylamino)pentanoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583
dipropan-2-yl 2,3-bis(propan-2-ylamino)butanedioate
CID 101067350
propan-2-yl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoate
CID 119326001
propan-2-yl 5-oxo-2-(propan-2-ylamino)hexanoate
CID 161057043
propan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate
CID 140961196
2,6-dimethyl-4-(propan-2-ylamino)heptan-3-one
CID 18739782
propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate
CID 119787715
ethane;propan-2-yl (2S)-3-methyl-2-(methylamino)butanoate
CID 142287179
methyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate
CID 112743189
propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate;hydrochloride
CID 119787714
methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate
CID 59435909
4-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]pentyl 2-(propan-2-ylamino)propanoate
CID 149070082

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl]amino]hexan-2-yl 4-methyl-2-(propan-2-ylamino)pentanoate?
The IUPAC name of 5-[[(2S)-3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl]amino]hexan-2-yl 4-methyl-2-(propan-2-ylamino)pentanoate (CID 126704364) is 5-[[(2S)-3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl]amino]hexan-2-yl 4-methyl-2-(propan-2-ylamino)pentanoate.
What is the SMILES notation for 5-[[(2S)-3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl]amino]hexan-2-yl 4-methyl-2-(propan-2-ylamino)pentanoate?
The canonical SMILES for 5-[[(2S)-3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl]amino]hexan-2-yl 4-methyl-2-(propan-2-ylamino)pentanoate is CC(C)CC(NC(C)C)C(=O)OC(C)CCC(C)N[C@H](C(=O)OC(C)C)C(C)C.
What is the InChIKey of 5-[[(2S)-3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl]amino]hexan-2-yl 4-methyl-2-(propan-2-ylamino)pentanoate?
The InChIKey is VKVPXLCPCBISLP-FNNAPWSISA-N. The full InChI is InChI=1S/C23H46N2O4/c1-14(2)13-20(24-16(5)6)22(26)29-19(10)12-11-18(9)25-21(15(3)4)23(27)28-17(7)8/h14-21,24-25H,11-13H2,1-10H3/t18?,19?,20?,21-/m0/s1.
What are the key properties of 5-[[(2S)-3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl]amino]hexan-2-yl 4-methyl-2-(propan-2-ylamino)pentanoate?
5-[[(2S)-3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl]amino]hexan-2-yl 4-methyl-2-(propan-2-ylamino)pentanoate has a molecular weight of 414.63 g/mol, XLogP of 4.07, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl]amino]hexan-2-yl 4-methyl-2-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 126704364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).