(2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid

C17H25NO4 — CID 119363288

IUPAC(2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)Cc1cccc(OC(C)C)c1)C(=O)O
InChIInChI=1S/C17H25NO4/c1-11(2)8-15(17(20)21)18-16(19)10-13-6-5-7-14(9-13)22-12(3)4/h5-7,9,11-12,15H,8,10H2,1-4H3,(H,18,19)(H,20,21)/t15-/m1/s1
InChIKeyQCAPQNPISPWJOZ-OAHLLOKOSA-N
MW307.39 g/mol
LogP2.63
Rot. Bonds8

About (2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid

(2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid (PubChem CID 119363288) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
PubChem CID119363288
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name(2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)Cc1cccc(OC(C)C)c1)C(=O)O
InChIInChI=1S/C17H25NO4/c1-11(2)8-15(17(20)21)18-16(19)10-13-6-5-7-14(9-13)22-12(3)4/h5-7,9,11-12,15H,8,10H2,1-4H3,(H,18,19)(H,20,21)/t15-/m1/s1
InChIKeyQCAPQNPISPWJOZ-OAHLLOKOSA-N
XLogP2.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119244137
(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]pentanoic acid
CID 40551448
(2R)-4-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119364391
2-[3-(3-methoxyphenyl)propanoylamino]-4-methylpentanoic acid
CID 43353303
(2S)-2-[[2-(3-ethylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 61138039
(2R)-2-[[2-(3-ethylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975786
4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid
CID 18070230
(2S)-2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]-4-methylpentanoic acid
CID 119361436
2-(3-propan-2-yloxyphenyl)acetyl chloride
CID 18333440
(2S)-2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-4-methylpentanoic acid
CID 119361787
2-[(3-acetyloxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 108865131
(2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid
CID 63306930

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid (CID 119363288) is (2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid is CC(C)C[C@@H](NC(=O)Cc1cccc(OC(C)C)c1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid?
The InChIKey is QCAPQNPISPWJOZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25NO4/c1-11(2)8-15(17(20)21)18-16(19)10-13-6-5-7-14(9-13)22-12(3)4/h5-7,9,11-12,15H,8,10H2,1-4H3,(H,18,19)(H,20,21)/t15-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid?
(2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid has a molecular weight of 307.39 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 119363288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).