(2R)-2-amino-3-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylpropanoic acid

C12H20N2O3S — CID 93031259

IUPAC(2R)-2-amino-3-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylpropanoic acid
SMILESCCN(C(=O)CSC[C@H](N)C(=O)O)C1=CCCC1
InChIInChI=1S/C12H20N2O3S/c1-2-14(9-5-3-4-6-9)11(15)8-18-7-10(13)12(16)17/h5,10H,2-4,6-8,13H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyDKKJMLIUJWDAHZ-JTQLQIEISA-N
MW272.37 g/mol
LogP1.05
Rot. Bonds7

About (2R)-2-amino-3-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylpropanoic acid

(2R)-2-amino-3-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylpropanoic acid (PubChem CID 93031259) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is (2R)-2-amino-3-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylpropanoic acid
PubChem CID93031259
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name(2R)-2-amino-3-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylpropanoic acid
SMILESCCN(C(=O)CSC[C@H](N)C(=O)O)C1=CCCC1
InChIInChI=1S/C12H20N2O3S/c1-2-14(9-5-3-4-6-9)11(15)8-18-7-10(13)12(16)17/h5,10H,2-4,6-8,13H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyDKKJMLIUJWDAHZ-JTQLQIEISA-N
XLogP1.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-acetamido-3-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 107774673
N-(cyclopenten-1-yl)-2-(2,3-dihydroxypropylsulfanyl)-N-ethylacetamide
CID 79682857
2-(2-amino-2-methylpropyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 79027227
2-amino-3-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43385370
2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 81223051
2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 55096747
3-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 64917116
2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 79005108
(2R)-2-amino-3-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61141256
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 115315425
2-(4-amino-2-methoxyphenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 79836851
N-(cyclopenten-1-yl)-N-ethyl-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 78989130

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylpropanoic acid (CID 93031259) is (2R)-2-amino-3-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylpropanoic acid is CCN(C(=O)CSC[C@H](N)C(=O)O)C1=CCCC1.
What is the InChIKey of (2R)-2-amino-3-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylpropanoic acid?
The InChIKey is DKKJMLIUJWDAHZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-2-14(9-5-3-4-6-9)11(15)8-18-7-10(13)12(16)17/h5,10H,2-4,6-8,13H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2R)-2-amino-3-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylpropanoic acid?
(2R)-2-amino-3-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylpropanoic acid has a molecular weight of 272.37 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]sulfanylpropanoic acid is sourced from PubChem (CID 93031259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).