(2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid

C12H24N2O3 — CID 129365438

IUPAC(2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid
SMILESCCCCNC(=O)[C@H](C)N[C@H](CCC)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-6-8-13-11(15)9(3)14-10(7-5-2)12(16)17/h9-10,14H,4-8H2,1-3H3,(H,13,15)(H,16,17)/t9-,10+/m0/s1
InChIKeyCWGPFPBRJFVMNV-VHSXEESVSA-N
MW244.33 g/mol
LogP1.13
Rot. Bonds9

About (2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid

(2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid (PubChem CID 129365438) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid
PubChem CID129365438
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid
SMILESCCCCNC(=O)[C@H](C)N[C@H](CCC)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-6-8-13-11(15)9(3)14-10(7-5-2)12(16)17/h9-10,14H,4-8H2,1-3H3,(H,13,15)(H,16,17)/t9-,10+/m0/s1
InChIKeyCWGPFPBRJFVMNV-VHSXEESVSA-N
XLogP1.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 43467320
2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide
CID 60722434
N-butyl-2-(heptan-2-ylamino)propanamide
CID 54950626
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]pentanoic acid
CID 43631933
2-(pentan-2-ylamino)hexanoic acid
CID 103231809
2-methyl-6-[[1-oxo-1-(pentylamino)propan-2-yl]amino]heptanoic acid
CID 65289301
2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]pentanoic acid
CID 43631930
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
2-(octan-2-ylamino)-N-pentylpropanamide
CID 61476673
4-(2-methylpentanoylamino)butanoic acid
CID 43209777
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid (CID 129365438) is (2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid is CCCCNC(=O)[C@H](C)N[C@H](CCC)C(=O)O.
What is the InChIKey of (2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid?
The InChIKey is CWGPFPBRJFVMNV-VHSXEESVSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-6-8-13-11(15)9(3)14-10(7-5-2)12(16)17/h9-10,14H,4-8H2,1-3H3,(H,13,15)(H,16,17)/t9-,10+/m0/s1.
What are the key properties of (2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid?
(2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.13, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid is sourced from PubChem (CID 129365438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).