(2R)-2-methyl-5-(phenacylamino)pentanoic acid

C14H19NO3 — CID 118133420

IUPAC(2R)-2-methyl-5-(phenacylamino)pentanoic acid
SMILESC[C@H](CCCNCC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO3/c1-11(14(17)18)6-5-9-15-10-13(16)12-7-3-2-4-8-12/h2-4,7-8,11,15H,5-6,9-10H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeySURCBDRHEJJGKH-LLVKDONJSA-N
MW249.31 g/mol
LogP1.96
Rot. Bonds8

About (2R)-2-methyl-5-(phenacylamino)pentanoic acid

(2R)-2-methyl-5-(phenacylamino)pentanoic acid (PubChem CID 118133420) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2R)-2-methyl-5-(phenacylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-5-(phenacylamino)pentanoic acid
PubChem CID118133420
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2R)-2-methyl-5-(phenacylamino)pentanoic acid
SMILESC[C@H](CCCNCC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO3/c1-11(14(17)18)6-5-9-15-10-13(16)12-7-3-2-4-8-12/h2-4,7-8,11,15H,5-6,9-10H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeySURCBDRHEJJGKH-LLVKDONJSA-N
XLogP1.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.96
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

2-(hexylamino)-1-phenylethanone
CID 82101185
2-(4-hydroxybutylamino)-1-phenylethanone
CID 15748500
2-methyl-5-oxo-5-phenylpentanoic acid
CID 13462808
tert-butyl (2S)-2-(methylamino)-6-(phenacylamino)hexanoate
CID 71275657
1-phenyl-2-[2-(propylamino)ethylamino]ethanone
CID 69282743
(2R)-2-(phenacylamino)hexadecanoic acid
CID 153409524
2-[4-(diethylamino)butylamino]-1-phenylethanone
CID 82101197
2-(aminomethylamino)-1-phenylethanone
CID 59627873
2-methyl-5-(phenylcarbamoylamino)pentanoic acid
CID 113440698
2-(ethylamino)-1-phenylethanone;methanol
CID 143922516
5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid
CID 104681612
5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid
CID 103870672

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-5-(phenacylamino)pentanoic acid?
The IUPAC name of (2R)-2-methyl-5-(phenacylamino)pentanoic acid (CID 118133420) is (2R)-2-methyl-5-(phenacylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-methyl-5-(phenacylamino)pentanoic acid?
The canonical SMILES for (2R)-2-methyl-5-(phenacylamino)pentanoic acid is C[C@H](CCCNCC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-methyl-5-(phenacylamino)pentanoic acid?
The InChIKey is SURCBDRHEJJGKH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(14(17)18)6-5-9-15-10-13(16)12-7-3-2-4-8-12/h2-4,7-8,11,15H,5-6,9-10H2,1H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-methyl-5-(phenacylamino)pentanoic acid?
(2R)-2-methyl-5-(phenacylamino)pentanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-5-(phenacylamino)pentanoic acid is sourced from PubChem (CID 118133420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).