(2S)-5-amino-2-[(5-chlorothiophene-2-carbonyl)amino]-5-oxopentanoic acid

C10H11ClN2O4S — CID 61144475

IUPAC(2S)-5-amino-2-[(5-chlorothiophene-2-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)c1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C10H11ClN2O4S/c11-7-3-2-6(18-7)9(15)13-5(10(16)17)1-4-8(12)14/h2-3,5H,1,4H2,(H2,12,14)(H,13,15)(H,16,17)/t5-/m0/s1
InChIKeyZHVBMYMUOWBMQH-YFKPBYRVSA-N
MW290.73 g/mol
LogP0.85
Rot. Bonds6

About (2S)-5-amino-2-[(5-chlorothiophene-2-carbonyl)amino]-5-oxopentanoic acid

(2S)-5-amino-2-[(5-chlorothiophene-2-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 61144475) has the molecular formula C10H11ClN2O4S and a molecular weight of 290.73 g/mol. Its IUPAC name is (2S)-5-amino-2-[(5-chlorothiophene-2-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(5-chlorothiophene-2-carbonyl)amino]-5-oxopentanoic acid
PubChem CID61144475
Molecular FormulaC10H11ClN2O4S
Molecular Weight290.73 g/mol
Exact Mass290.01
IUPAC Name(2S)-5-amino-2-[(5-chlorothiophene-2-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)c1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C10H11ClN2O4S/c11-7-3-2-6(18-7)9(15)13-5(10(16)17)1-4-8(12)14/h2-3,5H,1,4H2,(H2,12,14)(H,13,15)(H,16,17)/t5-/m0/s1
InChIKeyZHVBMYMUOWBMQH-YFKPBYRVSA-N
XLogP0.85
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-[(5-bromothiophene-2-carbonyl)amino]-5-oxopentanoic acid
CID 43176070
(2S)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 41250495
5-amino-2-[(4-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 3735034
(2R)-5-amino-2-[(6-chloropyridazine-3-carbonyl)amino]-5-oxopentanoic acid
CID 114037303
(2S)-5-amino-2-[(2-chloro-5-hydroxybenzoyl)amino]-5-oxopentanoic acid
CID 106500238
5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid
CID 43084994
(2S)-2-[(5-bromothiophene-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 107822531
(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 93306133
(2R)-5-amino-2-[(2,3-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107829776
N-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide
CID 114316562
5-amino-2-[(3-bromo-5-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 107937702
(2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid
CID 62959310

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(5-chlorothiophene-2-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(5-chlorothiophene-2-carbonyl)amino]-5-oxopentanoic acid (CID 61144475) is (2S)-5-amino-2-[(5-chlorothiophene-2-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(5-chlorothiophene-2-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(5-chlorothiophene-2-carbonyl)amino]-5-oxopentanoic acid is NC(=O)CC[C@H](NC(=O)c1ccc(Cl)s1)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[(5-chlorothiophene-2-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is ZHVBMYMUOWBMQH-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H11ClN2O4S/c11-7-3-2-6(18-7)9(15)13-5(10(16)17)1-4-8(12)14/h2-3,5H,1,4H2,(H2,12,14)(H,13,15)(H,16,17)/t5-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(5-chlorothiophene-2-carbonyl)amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(5-chlorothiophene-2-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 290.73 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(5-chlorothiophene-2-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 61144475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).