(2S)-4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid

C8H13N7O4 — CID 63717941

IUPAC(2S)-4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
SMILESCC(NC(=O)N[C@@H](CC(N)=O)C(=O)O)c1nn[nH]n1
InChIInChI=1S/C8H13N7O4/c1-3(6-12-14-15-13-6)10-8(19)11-4(7(17)18)2-5(9)16/h3-4H,2H2,1H3,(H2,9,16)(H,17,18)(H2,10,11,19)(H,12,13,14,15)/t3?,4-/m0/s1
InChIKeySXKSVTPWDOWMRY-BKLSDQPFSA-N
MW271.24 g/mol
LogP-2.11
Rot. Bonds6

About (2S)-4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid

(2S)-4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid (PubChem CID 63717941) has the molecular formula C8H13N7O4 and a molecular weight of 271.24 g/mol. Its IUPAC name is (2S)-4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
PubChem CID63717941
Molecular FormulaC8H13N7O4
Molecular Weight271.24 g/mol
Exact Mass271.10
IUPAC Name(2S)-4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
SMILESCC(NC(=O)N[C@@H](CC(N)=O)C(=O)O)c1nn[nH]n1
InChIInChI=1S/C8H13N7O4/c1-3(6-12-14-15-13-6)10-8(19)11-4(7(17)18)2-5(9)16/h3-4H,2H2,1H3,(H2,9,16)(H,17,18)(H2,10,11,19)(H,12,13,14,15)/t3?,4-/m0/s1
InChIKeySXKSVTPWDOWMRY-BKLSDQPFSA-N
XLogP-2.11
TPSA175.98 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 5-2.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2S)-4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-5-methoxy-5-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]pentanoic acid
CID 107827245
(2S)-4-amino-4-oxo-2-(propan-2-ylcarbamoylamino)butanoic acid
CID 28737850
2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 65263810
(2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid
CID 104870476
(2R)-4-amino-4-oxo-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 107826189
(2R)-4-amino-2-[1-(2-fluorophenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 107826890
(2S)-4-amino-2-[1-(2-fluorophenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 63718664
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836
(2R)-4-amino-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 107826866
(2S)-4-amino-2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid
CID 55230557
(2R)-4-amino-2-(hexan-2-ylcarbamoylamino)-4-oxobutanoic acid
CID 107827459
(2S)-4-amino-2-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 63718308

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid?
The IUPAC name of (2S)-4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid (CID 63717941) is (2S)-4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for (2S)-4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid?
The canonical SMILES for (2S)-4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid is CC(NC(=O)N[C@@H](CC(N)=O)C(=O)O)c1nn[nH]n1.
What is the InChIKey of (2S)-4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid?
The InChIKey is SXKSVTPWDOWMRY-BKLSDQPFSA-N. The full InChI is InChI=1S/C8H13N7O4/c1-3(6-12-14-15-13-6)10-8(19)11-4(7(17)18)2-5(9)16/h3-4H,2H2,1H3,(H2,9,16)(H,17,18)(H2,10,11,19)(H,12,13,14,15)/t3?,4-/m0/s1.
What are the key properties of (2S)-4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid?
(2S)-4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid has a molecular weight of 271.24 g/mol, XLogP of -2.11, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 63717941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).