4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid

C16H22N6O4 — CID 122078811

IUPAC4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
SMILESCOc1ccc(NC(=O)NC(C)(C)CCC(=O)O)cc1-n1nnnc1C
InChIInChI=1S/C16H22N6O4/c1-10-19-20-21-22(10)12-9-11(5-6-13(12)26-4)17-15(25)18-16(2,3)8-7-14(23)24/h5-6,9H,7-8H2,1-4H3,(H,23,24)(H2,17,18,25)
InChIKeyUFSGXBHSIMMBKJ-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.74
Rot. Bonds7

About 4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid

4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid (PubChem CID 122078811) has the molecular formula C16H22N6O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
PubChem CID122078811
Molecular FormulaC16H22N6O4
Molecular Weight362.39 g/mol
Exact Mass362.17
IUPAC Name4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
SMILESCOc1ccc(NC(=O)NC(C)(C)CCC(=O)O)cc1-n1nnnc1C
InChIInChI=1S/C16H22N6O4/c1-10-19-20-21-22(10)12-9-11(5-6-13(12)26-4)17-15(25)18-16(2,3)8-7-14(23)24/h5-6,9H,7-8H2,1-4H3,(H,23,24)(H2,17,18,25)
InChIKeyUFSGXBHSIMMBKJ-UHFFFAOYSA-N
XLogP1.74
TPSA131.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid with MolForge

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Related Compounds

4-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122076618
4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122076240
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 119313715
4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 114840334
1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea
CID 136522782
(2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 119313707
1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea
CID 95317921
1-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119766630
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyridazine-4-carboxamide
CID 167800736
4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122089353
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-pyridin-2-ylpropanamide
CID 134813273
4-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122075180

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid (CID 122078811) is 4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid is COc1ccc(NC(=O)NC(C)(C)CCC(=O)O)cc1-n1nnnc1C.
What is the InChIKey of 4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid?
The InChIKey is UFSGXBHSIMMBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O4/c1-10-19-20-21-22(10)12-9-11(5-6-13(12)26-4)17-15(25)18-16(2,3)8-7-14(23)24/h5-6,9H,7-8H2,1-4H3,(H,23,24)(H2,17,18,25).
What are the key properties of 4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid?
4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid has a molecular weight of 362.39 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 122078811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).