2-(butan-2-ylamino)-2-[3-(tetrazol-1-yl)phenyl]propanoic acid

C14H19N5O2 — CID 61024143

IUPAC2-(butan-2-ylamino)-2-[3-(tetrazol-1-yl)phenyl]propanoic acid
SMILESCCC(C)NC(C)(C(=O)O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H19N5O2/c1-4-10(2)16-14(3,13(20)21)11-6-5-7-12(8-11)19-9-15-17-18-19/h5-10,16H,4H2,1-3H3,(H,20,21)
InChIKeyMRNAGSOCXUWEHY-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.35
Rot. Bonds6

About 2-(butan-2-ylamino)-2-[3-(tetrazol-1-yl)phenyl]propanoic acid

2-(butan-2-ylamino)-2-[3-(tetrazol-1-yl)phenyl]propanoic acid (PubChem CID 61024143) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-[3-(tetrazol-1-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-[3-(tetrazol-1-yl)phenyl]propanoic acid
PubChem CID61024143
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-(butan-2-ylamino)-2-[3-(tetrazol-1-yl)phenyl]propanoic acid
SMILESCCC(C)NC(C)(C(=O)O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H19N5O2/c1-4-10(2)16-14(3,13(20)21)11-6-5-7-12(8-11)19-9-15-17-18-19/h5-10,16H,4H2,1-3H3,(H,20,21)
InChIKeyMRNAGSOCXUWEHY-UHFFFAOYSA-N
XLogP1.35
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(butan-2-ylamino)-2-[3-(tetrazol-1-yl)phenyl]propanoic 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-2-[3-(tetrazol-1-yl)phenyl]propanoic acid
CID 61237433
3-hydroxy-2-methyl-3-[3-(tetrazol-1-yl)phenyl]butanoic acid
CID 55071612
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
2-(butan-2-ylamino)-2-(3-chlorophenyl)propanoic acid
CID 61024539
2-hydroxy-2-[3-(tetrazol-1-yl)phenyl]propanamide
CID 62225652
2-fluoro-3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoic acid
CID 79367442
ethyl 3-hydroxy-3-[3-(tetrazol-1-yl)phenyl]butanoate
CID 62393971
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 42535237
2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid
CID 61024665
N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 28935486
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-[3-(tetrazol-1-yl)phenyl]propanoic acid?
The IUPAC name of 2-(butan-2-ylamino)-2-[3-(tetrazol-1-yl)phenyl]propanoic acid (CID 61024143) is 2-(butan-2-ylamino)-2-[3-(tetrazol-1-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-(butan-2-ylamino)-2-[3-(tetrazol-1-yl)phenyl]propanoic acid?
The canonical SMILES for 2-(butan-2-ylamino)-2-[3-(tetrazol-1-yl)phenyl]propanoic acid is CCC(C)NC(C)(C(=O)O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-(butan-2-ylamino)-2-[3-(tetrazol-1-yl)phenyl]propanoic acid?
The InChIKey is MRNAGSOCXUWEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-10(2)16-14(3,13(20)21)11-6-5-7-12(8-11)19-9-15-17-18-19/h5-10,16H,4H2,1-3H3,(H,20,21).
What are the key properties of 2-(butan-2-ylamino)-2-[3-(tetrazol-1-yl)phenyl]propanoic acid?
2-(butan-2-ylamino)-2-[3-(tetrazol-1-yl)phenyl]propanoic acid has a molecular weight of 289.34 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-[3-(tetrazol-1-yl)phenyl]propanoic acid is sourced from PubChem (CID 61024143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).