(2R)-2-(2-methylpropoxycarbonylamino)-4-phenylbutanoic acid

C15H21NO4 — CID 58474049

IUPAC(2R)-2-(2-methylpropoxycarbonylamino)-4-phenylbutanoic acid
SMILESCC(C)COC(=O)N[C@H](CCc1ccccc1)C(=O)O
InChIInChI=1S/C15H21NO4/c1-11(2)10-20-15(19)16-13(14(17)18)9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,19)(H,17,18)/t13-/m1/s1
InChIKeyYDLVMELEVIEHOG-CYBMUJFWSA-N
MW279.34 g/mol
LogP2.45
Rot. Bonds7

About (2R)-2-(2-methylpropoxycarbonylamino)-4-phenylbutanoic acid

(2R)-2-(2-methylpropoxycarbonylamino)-4-phenylbutanoic acid (PubChem CID 58474049) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2R)-2-(2-methylpropoxycarbonylamino)-4-phenylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-methylpropoxycarbonylamino)-4-phenylbutanoic acid
PubChem CID58474049
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(2R)-2-(2-methylpropoxycarbonylamino)-4-phenylbutanoic acid
SMILESCC(C)COC(=O)N[C@H](CCc1ccccc1)C(=O)O
InChIInChI=1S/C15H21NO4/c1-11(2)10-20-15(19)16-13(14(17)18)9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,19)(H,17,18)/t13-/m1/s1
InChIKeyYDLVMELEVIEHOG-CYBMUJFWSA-N
XLogP2.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 142588377
(2R)-4-(2-methylpropoxy)-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
CID 66587525
(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-phenylbutanoic acid
CID 104983349
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-phenylbutanoic acid
CID 10850225
(2S)-2-(2,2-dimethylpropanoylamino)-4-phenylbutanoic acid
CID 104983118
(2S)-2-(2-methylpropoxycarbonylamino)pentanedioic acid
CID 61143698
3-methoxy-2-(2-methylpropoxycarbonylamino)propanoic acid
CID 81076672
2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate
CID 123797558
2-methyl-4-phenylbutanoic acid
CID 66896591
(2S)-2-[(4-methoxy-3-methylbutanoyl)amino]-4-phenylbutanoic acid
CID 104983226
(2S)-2-[(3-amino-2-methoxypropanoyl)amino]-4-phenylbutanoic acid
CID 106114004
4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoyl]amino]pentanoic acid
CID 90092725

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylpropoxycarbonylamino)-4-phenylbutanoic acid?
The IUPAC name of (2R)-2-(2-methylpropoxycarbonylamino)-4-phenylbutanoic acid (CID 58474049) is (2R)-2-(2-methylpropoxycarbonylamino)-4-phenylbutanoic acid.
What is the SMILES notation for (2R)-2-(2-methylpropoxycarbonylamino)-4-phenylbutanoic acid?
The canonical SMILES for (2R)-2-(2-methylpropoxycarbonylamino)-4-phenylbutanoic acid is CC(C)COC(=O)N[C@H](CCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-(2-methylpropoxycarbonylamino)-4-phenylbutanoic acid?
The InChIKey is YDLVMELEVIEHOG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11(2)10-20-15(19)16-13(14(17)18)9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,19)(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-methylpropoxycarbonylamino)-4-phenylbutanoic acid?
(2R)-2-(2-methylpropoxycarbonylamino)-4-phenylbutanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylpropoxycarbonylamino)-4-phenylbutanoic acid is sourced from PubChem (CID 58474049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).