4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid

C7H14N2O3S — CID 175962096

IUPAC4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid
SMILESN[C@@H](CS)C(=O)NCCCC(=O)O
InChIInChI=1S/C7H14N2O3S/c8-5(4-13)7(12)9-3-1-2-6(10)11/h5,13H,1-4,8H2,(H,9,12)(H,10,11)/t5-/m0/s1
InChIKeyLFZSVYMZKNUKFH-YFKPBYRVSA-N
MW206.27 g/mol
LogP-0.78
Rot. Bonds6

About 4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid

4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid (PubChem CID 175962096) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid
PubChem CID175962096
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid
SMILESN[C@@H](CS)C(=O)NCCCC(=O)O
InChIInChI=1S/C7H14N2O3S/c8-5(4-13)7(12)9-3-1-2-6(10)11/h5,13H,1-4,8H2,(H,9,12)(H,10,11)/t5-/m0/s1
InChIKeyLFZSVYMZKNUKFH-YFKPBYRVSA-N
XLogP-0.78
TPSA92.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

16-[(2-amino-3-sulfanylpropanoyl)amino]hexadecanoic acid
CID 53362588
4-(2,3-diaminopropanoylamino)butanoic acid
CID 123677811
18-[(2-amino-4-sulfanylbutanoyl)amino]octadecanoic acid
CID 89495873
4-(2-aminohexanoylamino)butanoic acid
CID 61157473
(2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid
CID 51356146
4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64890076
methyl 10-[(2-amino-3-sulfanylpropanoyl)amino]decanoate
CID 123593299
4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]butanoic acid
CID 104907974
8-[[2-amino-3-[[2-amino-3-(7-carboxyheptylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]octanoic acid
CID 89495837
12-[[2-amino-3-[[2-amino-3-(11-carboxyundecylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]dodecanoic acid
CID 89495848
14-[[2-amino-3-[[2-amino-3-(13-carboxytridecylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]tetradecanoic acid
CID 129089504
5-[(2-amino-3-methoxypropanoyl)amino]pentanoic acid
CID 81088250

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid?
The IUPAC name of 4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid (CID 175962096) is 4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid.
What is the SMILES notation for 4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid?
The canonical SMILES for 4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid is N[C@@H](CS)C(=O)NCCCC(=O)O.
What is the InChIKey of 4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid?
The InChIKey is LFZSVYMZKNUKFH-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N2O3S/c8-5(4-13)7(12)9-3-1-2-6(10)11/h5,13H,1-4,8H2,(H,9,12)(H,10,11)/t5-/m0/s1.
What are the key properties of 4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid?
4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid has a molecular weight of 206.27 g/mol, XLogP of -0.78, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid is sourced from PubChem (CID 175962096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).