1-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]cyclopropane-1-carboxylic acid

C14H18N2O4 — CID 141243932

IUPAC1-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]cyclopropane-1-carboxylic acid
SMILESO=C(CCc1ccc(CNC2(C(=O)O)CC2)cc1)NO
InChIInChI=1S/C14H18N2O4/c17-12(16-20)6-5-10-1-3-11(4-2-10)9-15-14(7-8-14)13(18)19/h1-4,15,20H,5-9H2,(H,16,17)(H,18,19)
InChIKeyVZUWMKORJDOHOJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.83
Rot. Bonds7

About 1-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]cyclopropane-1-carboxylic acid

1-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]cyclopropane-1-carboxylic acid (PubChem CID 141243932) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]cyclopropane-1-carboxylic acid
PubChem CID141243932
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]cyclopropane-1-carboxylic acid
SMILESO=C(CCc1ccc(CNC2(C(=O)O)CC2)cc1)NO
InChIInChI=1S/C14H18N2O4/c17-12(16-20)6-5-10-1-3-11(4-2-10)9-15-14(7-8-14)13(18)19/h1-4,15,20H,5-9H2,(H,16,17)(H,18,19)
InChIKeyVZUWMKORJDOHOJ-UHFFFAOYSA-N
XLogP0.83
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.83
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

N-hydroxy-3-[4-(2-phenylethyl)phenyl]propanamide
CID 22986796
1-[(4-chlorophenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81168085
1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 114990344
1-[(4-iodophenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167632
1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
N-hydroxy-3-(4-phenylphenyl)propanamide
CID 22915508
benzene;formic acid;N-hydroxy-3-phenylpropanamide
CID 174900807
1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 43132383
1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid
CID 136516250
1-[3-(3-bromophenyl)propanoylamino]cyclopropane-1-carboxylic acid
CID 65450964
N-hydroxy-3-(4-methylsulfanylphenyl)propanamide
CID 59191041
1-[(3-bromophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 67025452

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]cyclopropane-1-carboxylic acid (CID 141243932) is 1-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]cyclopropane-1-carboxylic acid is O=C(CCc1ccc(CNC2(C(=O)O)CC2)cc1)NO.
What is the InChIKey of 1-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]cyclopropane-1-carboxylic acid?
The InChIKey is VZUWMKORJDOHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-12(16-20)6-5-10-1-3-11(4-2-10)9-15-14(7-8-14)13(18)19/h1-4,15,20H,5-9H2,(H,16,17)(H,18,19).
What are the key properties of 1-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]cyclopropane-1-carboxylic acid?
1-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]cyclopropane-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.83, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 141243932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).