2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid

C15H22N2O4 — CID 61182753

IUPAC2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
SMILESCCOc1ccccc1NC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-4-21-13-8-6-5-7-11(13)16-15(20)17-12(14(18)19)9-10(2)3/h5-8,10,12H,4,9H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyBIRXMFSADDRVRU-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.71
Rot. Bonds7

About 2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid

2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid (PubChem CID 61182753) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
PubChem CID61182753
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
SMILESCCOc1ccccc1NC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-4-21-13-8-6-5-7-11(13)16-15(20)17-12(14(18)19)9-10(2)3/h5-8,10,12H,4,9H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyBIRXMFSADDRVRU-UHFFFAOYSA-N
XLogP2.71
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzhydryl-3-(2-ethoxyphenyl)urea
CID 108867539
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
1-[(2R)-but-3-yn-2-yl]-3-(2-ethoxyphenyl)urea
CID 100696926
(2S)-2-[(4-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 944908
1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812234
2-[(2-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469980
(2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid
CID 51426594
4-[(2-ethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 81072787
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158
(2S)-2-[(3-chloro-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 28509571
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid (CID 61182753) is 2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid is CCOc1ccccc1NC(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid?
The InChIKey is BIRXMFSADDRVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-21-13-8-6-5-7-11(13)16-15(20)17-12(14(18)19)9-10(2)3/h5-8,10,12H,4,9H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid?
2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 61182753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).