(2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid

C6H12N2O3S — CID 107772991

IUPAC(2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid
SMILESNC(=O)CCSC[C@@H](N)C(=O)O
InChIInChI=1S/C6H12N2O3S/c7-4(6(10)11)3-12-2-1-5(8)9/h4H,1-3,7H2,(H2,8,9)(H,10,11)/t4-/m1/s1
InChIKeyUKMONNARIQAYBE-SCSAIBSYSA-N
MW192.24 g/mol
LogP-0.99
Rot. Bonds6

About (2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid

(2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid (PubChem CID 107772991) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid
PubChem CID107772991
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC Name(2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid
SMILESNC(=O)CCSC[C@@H](N)C(=O)O
InChIInChI=1S/C6H12N2O3S/c7-4(6(10)11)3-12-2-1-5(8)9/h4H,1-3,7H2,(H2,8,9)(H,10,11)/t4-/m1/s1
InChIKeyUKMONNARIQAYBE-SCSAIBSYSA-N
XLogP-0.99
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid
CID 11665727
2-amino-3-(2-aminoethylsulfanyl)propanoic acid chloride
CID 5458409
(2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic acid
CID 15813262
(2R)-2-amino-3-[3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid
CID 62324056
(2S)-2,7-diamino-7-oxoheptanoic acid
CID 88911267
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
2,5-diamino-5-oxopentanoic acid
CID 738
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
(2R)-5-amino-2-[[(1S)-2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-1-carboxyethyl]amino]-5-oxopentanoic acid
CID 118658387
2-amino-3-(2-sulfoethylsulfanyl)propanoic acid
CID 656459
(2R)-2-amino-3-(2-boronoethylsulfanyl)propanoic acid;hydrochloride
CID 91826515
(2R)-2-amino-3-(3,3-dimethylbutylsulfanyl)propanoic acid
CID 61147258

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid (CID 107772991) is (2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid is NC(=O)CCSC[C@@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid?
The InChIKey is UKMONNARIQAYBE-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c7-4(6(10)11)3-12-2-1-5(8)9/h4H,1-3,7H2,(H2,8,9)(H,10,11)/t4-/m1/s1.
What are the key properties of (2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid?
(2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid has a molecular weight of 192.24 g/mol, XLogP of -0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid is sourced from PubChem (CID 107772991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).