4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid

C16H23NO4 — CID 43353337

IUPAC4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid
SMILESCC(C)CC(NC(=O)C(C)OCc1ccccc1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-11(2)9-14(16(19)20)17-15(18)12(3)21-10-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyMKTFABGZNLVAJX-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.21
Rot. Bonds8

About 4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid

4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid (PubChem CID 43353337) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid
PubChem CID43353337
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid
SMILESCC(C)CC(NC(=O)C(C)OCc1ccccc1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-11(2)9-14(16(19)20)17-15(18)12(3)21-10-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyMKTFABGZNLVAJX-UHFFFAOYSA-N
XLogP2.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-4-methylpentanoic acid
CID 119361787
2-(2-phenylmethoxypropanoylamino)hexanoic acid
CID 43469799
4-amino-4-oxo-2-(2-phenylmethoxypropanoylamino)butanoic acid
CID 43357173
(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
CID 10777126
3-methyl-2-(2-phenylmethoxypropanoylamino)butanoic acid
CID 43354070
(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-phenylmethoxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 22807282
4-methyl-2-[(2-phenylmethoxypropanoylamino)methyl]pentanoic acid
CID 119252750
(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]pentanoic acid
CID 40551448
4-methyl-2-[2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoylamino]pentanoic acid
CID 70145371
(2R)-4-methyl-2-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]pentanoic acid
CID 87903352
(2R)-4-methyl-2-(3-phenylmethoxypropanoylamino)pentanoic acid
CID 119363955
(2S)-4-methyl-2-[2-[2-oxo-2-(phenylmethoxyamino)ethyl]pentanoylamino]pentanoic acid
CID 54566343

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid (CID 43353337) is 4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid is CC(C)CC(NC(=O)C(C)OCc1ccccc1)C(=O)O.
What is the InChIKey of 4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid?
The InChIKey is MKTFABGZNLVAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(2)9-14(16(19)20)17-15(18)12(3)21-10-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid?
4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid is sourced from PubChem (CID 43353337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).