5-[3-(1-ethyltetrazol-5-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid

C16H21N5O3 — CID 119137389

IUPAC5-[3-(1-ethyltetrazol-5-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCn1nnnc1-c1cccc(NC(=O)CC(C)(C)CC(=O)O)c1
InChIInChI=1S/C16H21N5O3/c1-4-21-15(18-19-20-21)11-6-5-7-12(8-11)17-13(22)9-16(2,3)10-14(23)24/h5-8H,4,9-10H2,1-3H3,(H,17,22)(H,23,24)
InChIKeyVICDOVBNJUDPOW-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.19
Rot. Bonds7

About 5-[3-(1-ethyltetrazol-5-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid

5-[3-(1-ethyltetrazol-5-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 119137389) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-[3-(1-ethyltetrazol-5-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[3-(1-ethyltetrazol-5-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID119137389
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name5-[3-(1-ethyltetrazol-5-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCn1nnnc1-c1cccc(NC(=O)CC(C)(C)CC(=O)O)c1
InChIInChI=1S/C16H21N5O3/c1-4-21-15(18-19-20-21)11-6-5-7-12(8-11)17-13(22)9-16(2,3)10-14(23)24/h5-8H,4,9-10H2,1-3H3,(H,17,22)(H,23,24)
InChIKeyVICDOVBNJUDPOW-UHFFFAOYSA-N
XLogP2.19
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119795053
2-[2-[3-(1-ethyltetrazol-5-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119137391
N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119795069
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119795067
1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 119330027
5-[3-(methoxycarbonylamino)anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 56816642
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
N-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119795061
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
(3aS,6aR)-2-[[3-(1-ethyltetrazol-5-yl)phenyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122085178

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-ethyltetrazol-5-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[3-(1-ethyltetrazol-5-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid (CID 119137389) is 5-[3-(1-ethyltetrazol-5-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[3-(1-ethyltetrazol-5-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[3-(1-ethyltetrazol-5-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid is CCn1nnnc1-c1cccc(NC(=O)CC(C)(C)CC(=O)O)c1.
What is the InChIKey of 5-[3-(1-ethyltetrazol-5-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is VICDOVBNJUDPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-4-21-15(18-19-20-21)11-6-5-7-12(8-11)17-13(22)9-16(2,3)10-14(23)24/h5-8H,4,9-10H2,1-3H3,(H,17,22)(H,23,24).
What are the key properties of 5-[3-(1-ethyltetrazol-5-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid?
5-[3-(1-ethyltetrazol-5-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 331.38 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-ethyltetrazol-5-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 119137389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).