(2R)-4-methyl-2-[(phenylmethoxyamino)methyl]pentanoic acid

C14H21NO3 — CID 15408093

IUPAC(2R)-4-methyl-2-[(phenylmethoxyamino)methyl]pentanoic acid
SMILESCC(C)C[C@H](CNOCc1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO3/c1-11(2)8-13(14(16)17)9-15-18-10-12-6-4-3-5-7-12/h3-7,11,13,15H,8-10H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyLYMTUUPKTSFKAQ-CYBMUJFWSA-N
MW251.33 g/mol
LogP2.45
Rot. Bonds8

About (2R)-4-methyl-2-[(phenylmethoxyamino)methyl]pentanoic acid

(2R)-4-methyl-2-[(phenylmethoxyamino)methyl]pentanoic acid (PubChem CID 15408093) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(phenylmethoxyamino)methyl]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(phenylmethoxyamino)methyl]pentanoic acid
PubChem CID15408093
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(2R)-4-methyl-2-[(phenylmethoxyamino)methyl]pentanoic acid
SMILESCC(C)C[C@H](CNOCc1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO3/c1-11(2)8-13(14(16)17)9-15-18-10-12-6-4-3-5-7-12/h3-7,11,13,15H,8-10H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyLYMTUUPKTSFKAQ-CYBMUJFWSA-N
XLogP2.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 16721024
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CID 322231
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CID 46224089
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CID 11808064
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CID 176430915
CID 176430915
CID 176430921
CID 176430921
CID 10606616
CID 10606616
CID 11052883
CID 11052883
CID 11185069
CID 11185069
CID 11694494
CID 11694494
CID 13028071
CID 13028071
CID 13028074
CID 13028074

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(phenylmethoxyamino)methyl]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(phenylmethoxyamino)methyl]pentanoic acid (CID 15408093) is (2R)-4-methyl-2-[(phenylmethoxyamino)methyl]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(phenylmethoxyamino)methyl]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(phenylmethoxyamino)methyl]pentanoic acid is CC(C)C[C@H](CNOCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(phenylmethoxyamino)methyl]pentanoic acid?
The InChIKey is LYMTUUPKTSFKAQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(2)8-13(14(16)17)9-15-18-10-12-6-4-3-5-7-12/h3-7,11,13,15H,8-10H2,1-2H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(phenylmethoxyamino)methyl]pentanoic acid?
(2R)-4-methyl-2-[(phenylmethoxyamino)methyl]pentanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.45, 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-[(phenylmethoxyamino)methyl]pentanoic acid is sourced from PubChem (CID 15408093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).