2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]-2,4-dimethylpentanoic acid

C17H26N2O4 — CID 46892248

IUPAC2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(NCc1ccc(CCC(=O)NO)cc1)C(=O)O
InChIInChI=1S/C17H26N2O4/c1-12(2)10-17(3,16(21)22)18-11-14-6-4-13(5-7-14)8-9-15(20)19-23/h4-7,12,18,23H,8-11H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyNWXSADISNKTOGI-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.10
Rot. Bonds9

About 2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]-2,4-dimethylpentanoic acid

2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]-2,4-dimethylpentanoic acid (PubChem CID 46892248) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]-2,4-dimethylpentanoic acid
PubChem CID46892248
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(NCc1ccc(CCC(=O)NO)cc1)C(=O)O
InChIInChI=1S/C17H26N2O4/c1-12(2)10-17(3,16(21)22)18-11-14-6-4-13(5-7-14)8-9-15(20)19-23/h4-7,12,18,23H,8-11H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyNWXSADISNKTOGI-UHFFFAOYSA-N
XLogP2.10
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-fluorophenyl)methylamino]-2,4-dimethylpentanoic acid
CID 68854962
tert-butyl (2S)-2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]-4-methylpentanoate
CID 25059998
N-hydroxy-3-[4-(2-phenylethyl)phenyl]propanamide
CID 22986796
2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid
CID 79801788
2,4-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid
CID 115000495
N-hydroxy-3-(4-phenylphenyl)propanamide
CID 22915508
2-[(4-bromophenyl)methylamino]-2-methylpentanoic acid
CID 43619765
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-3-phenylbutanamide
CID 11359314
N-hydroxy-3-(4-methylsulfanylphenyl)propanamide
CID 59191041
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119599640
1-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]cyclopropane-1-carboxylic acid
CID 141243932
(2R)-2-acetamido-2,4-dimethylpentanoic acid
CID 22858890

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]-2,4-dimethylpentanoic acid?
The IUPAC name of 2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]-2,4-dimethylpentanoic acid (CID 46892248) is 2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]-2,4-dimethylpentanoic acid is CC(C)CC(C)(NCc1ccc(CCC(=O)NO)cc1)C(=O)O.
What is the InChIKey of 2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]-2,4-dimethylpentanoic acid?
The InChIKey is NWXSADISNKTOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-12(2)10-17(3,16(21)22)18-11-14-6-4-13(5-7-14)8-9-15(20)19-23/h4-7,12,18,23H,8-11H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]-2,4-dimethylpentanoic acid?
2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]-2,4-dimethylpentanoic acid has a molecular weight of 322.41 g/mol, XLogP of 2.10, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]-2,4-dimethylpentanoic acid is sourced from PubChem (CID 46892248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).