2-hydroxy-4-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid

C8H14N6O4 — CID 107839418

IUPAC2-hydroxy-4-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
SMILESCC(NC(=O)NCCC(O)C(=O)O)c1nn[nH]n1
InChIInChI=1S/C8H14N6O4/c1-4(6-11-13-14-12-6)10-8(18)9-3-2-5(15)7(16)17/h4-5,15H,2-3H2,1H3,(H,16,17)(H2,9,10,18)(H,11,12,13,14)
InChIKeyDTFTZAZBOMVJFG-UHFFFAOYSA-N
MW258.24 g/mol
LogP-1.60
Rot. Bonds6

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

2-hydroxy-4-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid (PubChem CID 107839418) has the molecular formula C8H14N6O4 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-hydroxy-4-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
PubChem CID107839418
Molecular FormulaC8H14N6O4
Molecular Weight258.24 g/mol
Exact Mass258.11
IUPAC Name2-hydroxy-4-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
SMILESCC(NC(=O)NCCC(O)C(=O)O)c1nn[nH]n1
InChIInChI=1S/C8H14N6O4/c1-4(6-11-13-14-12-6)10-8(18)9-3-2-5(15)7(16)17/h4-5,15H,2-3H2,1H3,(H,16,17)(H2,9,10,18)(H,11,12,13,14)
InChIKeyDTFTZAZBOMVJFG-UHFFFAOYSA-N
XLogP-1.60
TPSA153.12 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 5-1.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2-hydroxy-4-[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

2-hydroxy-4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 106283197
(2S)-4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 63717941
4-(but-3-en-2-ylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841105
1-cyclopropyl-3-[1-(2H-tetrazol-5-yl)ethyl]urea
CID 62700432
2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 65263810
3,3-dimethyl-2-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]butanoic acid
CID 116537012
(2S)-2-hydroxy-4-[1-(2-methylphenyl)ethylcarbamoylamino]butanoic acid
CID 107839041
4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841000
(2S)-4-(4-ethylsulfanylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid
CID 114007752
(2S)-2-hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]butanoic acid
CID 107841233
2-hydroxy-4-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 107838979
(2S)-2-hydroxy-4-(pentan-3-ylcarbamoylamino)butanoic acid
CID 107837790

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid (CID 107839418) is 2-hydroxy-4-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid is CC(NC(=O)NCCC(O)C(=O)O)c1nn[nH]n1.
What is the InChIKey of 2-hydroxy-4-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid?
The InChIKey is DTFTZAZBOMVJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O4/c1-4(6-11-13-14-12-6)10-8(18)9-3-2-5(15)7(16)17/h4-5,15H,2-3H2,1H3,(H,16,17)(H2,9,10,18)(H,11,12,13,14).
What are the key properties of 2-hydroxy-4-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid?
2-hydroxy-4-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid has a molecular weight of 258.24 g/mol, XLogP of -1.60, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 107839418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).