(2R)-2-acetamido-3-(cyclopentylmethylsulfanyl)propanoic acid

C11H19NO3S — CID 107774767

IUPAC(2R)-2-acetamido-3-(cyclopentylmethylsulfanyl)propanoic acid
SMILESCC(=O)N[C@@H](CSCC1CCCC1)C(=O)O
InChIInChI=1S/C11H19NO3S/c1-8(13)12-10(11(14)15)7-16-6-9-4-2-3-5-9/h9-10H,2-7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKeyGNULMJNAAOISOS-JTQLQIEISA-N
MW245.34 g/mol
LogP1.50
Rot. Bonds6

About (2R)-2-acetamido-3-(cyclopentylmethylsulfanyl)propanoic acid

(2R)-2-acetamido-3-(cyclopentylmethylsulfanyl)propanoic acid (PubChem CID 107774767) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is (2R)-2-acetamido-3-(cyclopentylmethylsulfanyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-3-(cyclopentylmethylsulfanyl)propanoic acid
PubChem CID107774767
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name(2R)-2-acetamido-3-(cyclopentylmethylsulfanyl)propanoic acid
SMILESCC(=O)N[C@@H](CSCC1CCCC1)C(=O)O
InChIInChI=1S/C11H19NO3S/c1-8(13)12-10(11(14)15)7-16-6-9-4-2-3-5-9/h9-10H,2-7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKeyGNULMJNAAOISOS-JTQLQIEISA-N
XLogP1.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-4-(cyclobutylmethylsulfanyl)butanoic acid
CID 65458752
(2R)-2-acetamido-3-[[5-[[(2R)-2-acetamido-2-carboxyethyl]sulfanylmethyl]oxolan-2-yl]methylsulfanyl]propanoic acid
CID 122630814
(2R)-2-acetamido-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 107774237
2-acetamido-3-(cyclopentylmethylsulfanyl)-N-[(4-methylphenyl)methyl]propanamide
CID 23543157
sodium 2-acetamido-3-ethylsulfanylpropanoic acid
CID 170452671
(2R)-2-acetamido-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpropanoic acid
CID 107774480
(2R)-2-acetamido-3-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 107774822
(2S)-2-acetamido-3-[[(2S)-2-acetamido-2-carboxyethyl]disulfanyl]propanoic acid
CID 11461484
(2S)-2-acetamido-3-propylsulfanylpropanoic acid
CID 71312782
(2S)-2-acetamido-3-[(2S)-2-hydroxypropyl]sulfanylpropanoic acid
CID 40642510
2-acetamido-3-(2-hydroxypropylsulfanyl)propanoic acid;dihydrate
CID 76518973
(2S)-2-acetamido-3-hydroxysulfanylpropanoic acid
CID 177062913

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-(cyclopentylmethylsulfanyl)propanoic acid?
The IUPAC name of (2R)-2-acetamido-3-(cyclopentylmethylsulfanyl)propanoic acid (CID 107774767) is (2R)-2-acetamido-3-(cyclopentylmethylsulfanyl)propanoic acid.
What is the SMILES notation for (2R)-2-acetamido-3-(cyclopentylmethylsulfanyl)propanoic acid?
The canonical SMILES for (2R)-2-acetamido-3-(cyclopentylmethylsulfanyl)propanoic acid is CC(=O)N[C@@H](CSCC1CCCC1)C(=O)O.
What is the InChIKey of (2R)-2-acetamido-3-(cyclopentylmethylsulfanyl)propanoic acid?
The InChIKey is GNULMJNAAOISOS-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19NO3S/c1-8(13)12-10(11(14)15)7-16-6-9-4-2-3-5-9/h9-10H,2-7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1.
What are the key properties of (2R)-2-acetamido-3-(cyclopentylmethylsulfanyl)propanoic acid?
(2R)-2-acetamido-3-(cyclopentylmethylsulfanyl)propanoic acid has a molecular weight of 245.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-(cyclopentylmethylsulfanyl)propanoic acid is sourced from PubChem (CID 107774767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).