(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid

C14H19NO4 — CID 67585772

IUPAC(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
SMILESC[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO4/c1-11(13(16)17)6-5-9-15-14(18)19-10-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKeyIOSPWCRBOOBYKR-NSHDSACASA-N
MW265.31 g/mol
LogP2.41
Rot. Bonds7

About (2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid

(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid (PubChem CID 67585772) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
PubChem CID67585772
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
SMILESC[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO4/c1-11(13(16)17)6-5-9-15-14(18)19-10-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKeyIOSPWCRBOOBYKR-NSHDSACASA-N
XLogP2.41
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid;propane
CID 158989140
tert-butyl (2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoate
CID 165151783
benzyl N-(6-methylheptyl)carbamate
CID 59918495
2-phenylmethoxy-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67292704
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl (2S)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808145
benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808146
methyl (2R)-2-(chloroamino)-6-(phenylmethoxycarbonylamino)hexanoate
CID 170067550
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
2-formamido-6-(phenylmethoxycarbonylamino)hexanoic acid
CID 13341253
2-[[(1S)-1-carboxy-5-(phenylmethoxycarbonylamino)pentyl]amino]butanedioic acid
CID 159507037

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of (2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid (CID 67585772) is (2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for (2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid is C[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid?
The InChIKey is IOSPWCRBOOBYKR-NSHDSACASA-N. The full InChI is InChI=1S/C14H19NO4/c1-11(13(16)17)6-5-9-15-14(18)19-10-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,15,18)(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid?
(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 67585772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).