2-amino-3-(thiophene-2-carbonylamino)propanoic acid

C8H10N2O3S — CID 22661278

IUPAC2-amino-3-(thiophene-2-carbonylamino)propanoic acid
SMILESNC(CNC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C8H10N2O3S/c9-5(8(12)13)4-10-7(11)6-2-1-3-14-6/h1-3,5H,4,9H2,(H,10,11)(H,12,13)
InChIKeyQLVWYIYVDXDHBY-UHFFFAOYSA-N
MW214.25 g/mol
LogP-0.11
Rot. Bonds4

About 2-amino-3-(thiophene-2-carbonylamino)propanoic acid

2-amino-3-(thiophene-2-carbonylamino)propanoic acid (PubChem CID 22661278) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-amino-3-(thiophene-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(thiophene-2-carbonylamino)propanoic acid
PubChem CID22661278
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-amino-3-(thiophene-2-carbonylamino)propanoic acid
SMILESNC(CNC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C8H10N2O3S/c9-5(8(12)13)4-10-7(11)6-2-1-3-14-6/h1-3,5H,4,9H2,(H,10,11)(H,12,13)
InChIKeyQLVWYIYVDXDHBY-UHFFFAOYSA-N
XLogP-0.11
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(Thiophene-2-carbonyl)amino] acetic acid methyl ester
CID 531395
N-cyclohexylthiophene-2-carboxamide
CID 855035
tert-butyl N-{2-[(2-thienylcarbonyl)amino]ethyl}carbamate
CID 2796306
((2-Thienylcarbonyl)amino)acetic acid
CID 679227
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
N-(3-methoxypropyl)thiophene-2-carboxamide
CID 2057652
2-[(5-Methylthiophen-2-yl)formamido]acetic acid
CID 2392412
(1,4-Diazepan-1-yl)(thiophen-2-yl)methanone
CID 2795677
N-[2-[2-(dibutylamino)ethylamino]-2-oxoethyl]-2-thiophenecarboxamide
CID 9551015
N-[(2S,3R)-3-hydroxy-1-(octylamino)-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 90124905
Thenoyl methionate
CID 40542948
3-Methyl-2-((thiophen-2-yl)formamido)butanoic acid
CID 2771110

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(thiophene-2-carbonylamino)propanoic acid?
The IUPAC name of 2-amino-3-(thiophene-2-carbonylamino)propanoic acid (CID 22661278) is 2-amino-3-(thiophene-2-carbonylamino)propanoic acid.
What is the SMILES notation for 2-amino-3-(thiophene-2-carbonylamino)propanoic acid?
The canonical SMILES for 2-amino-3-(thiophene-2-carbonylamino)propanoic acid is NC(CNC(=O)c1cccs1)C(=O)O.
What is the InChIKey of 2-amino-3-(thiophene-2-carbonylamino)propanoic acid?
The InChIKey is QLVWYIYVDXDHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c9-5(8(12)13)4-10-7(11)6-2-1-3-14-6/h1-3,5H,4,9H2,(H,10,11)(H,12,13).
What are the key properties of 2-amino-3-(thiophene-2-carbonylamino)propanoic acid?
2-amino-3-(thiophene-2-carbonylamino)propanoic acid has a molecular weight of 214.25 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(thiophene-2-carbonylamino)propanoic acid is sourced from PubChem (CID 22661278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).