(3S)-3-amino-5-(3-fluoro-4-methoxyphenyl)-N-hydroxypentanamide

C12H17FN2O3 — CID 139978521

IUPAC(3S)-3-amino-5-(3-fluoro-4-methoxyphenyl)-N-hydroxypentanamide
SMILESCOc1ccc(CC[C@H](N)CC(=O)NO)cc1F
InChIInChI=1S/C12H17FN2O3/c1-18-11-5-3-8(6-10(11)13)2-4-9(14)7-12(16)15-17/h3,5-6,9,17H,2,4,7,14H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyYLMUXPOFXURMCS-VIFPVBQESA-N
MW256.28 g/mol
LogP0.99
Rot. Bonds6

About (3S)-3-amino-5-(3-fluoro-4-methoxyphenyl)-N-hydroxypentanamide

(3S)-3-amino-5-(3-fluoro-4-methoxyphenyl)-N-hydroxypentanamide (PubChem CID 139978521) has the molecular formula C12H17FN2O3 and a molecular weight of 256.28 g/mol. Its IUPAC name is (3S)-3-amino-5-(3-fluoro-4-methoxyphenyl)-N-hydroxypentanamide.

Molecular Properties

Compound Name(3S)-3-amino-5-(3-fluoro-4-methoxyphenyl)-N-hydroxypentanamide
PubChem CID139978521
Molecular FormulaC12H17FN2O3
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Name(3S)-3-amino-5-(3-fluoro-4-methoxyphenyl)-N-hydroxypentanamide
SMILESCOc1ccc(CC[C@H](N)CC(=O)NO)cc1F
InChIInChI=1S/C12H17FN2O3/c1-18-11-5-3-8(6-10(11)13)2-4-9(14)7-12(16)15-17/h3,5-6,9,17H,2,4,7,14H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyYLMUXPOFXURMCS-VIFPVBQESA-N
XLogP0.99
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.99
H-Bond Donors ≤ 53
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

(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318455
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbutanamide
CID 120500446
3-(3-fluoro-4-methoxyphenyl)-N,3-dihydroxypropanamide
CID 71721752
ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate
CID 23533716
1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine
CID 105122506
1-(3-fluoro-4-methoxyphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105122524
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318444
3-(3-fluoro-4-methoxyphenyl)propanoic acid;propanedioic acid
CID 67624266
4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine
CID 112518328
(2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide
CID 124512316
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158297
4-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119318463

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-5-(3-fluoro-4-methoxyphenyl)-N-hydroxypentanamide?
The IUPAC name of (3S)-3-amino-5-(3-fluoro-4-methoxyphenyl)-N-hydroxypentanamide (CID 139978521) is (3S)-3-amino-5-(3-fluoro-4-methoxyphenyl)-N-hydroxypentanamide.
What is the SMILES notation for (3S)-3-amino-5-(3-fluoro-4-methoxyphenyl)-N-hydroxypentanamide?
The canonical SMILES for (3S)-3-amino-5-(3-fluoro-4-methoxyphenyl)-N-hydroxypentanamide is COc1ccc(CC[C@H](N)CC(=O)NO)cc1F.
What is the InChIKey of (3S)-3-amino-5-(3-fluoro-4-methoxyphenyl)-N-hydroxypentanamide?
The InChIKey is YLMUXPOFXURMCS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17FN2O3/c1-18-11-5-3-8(6-10(11)13)2-4-9(14)7-12(16)15-17/h3,5-6,9,17H,2,4,7,14H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (3S)-3-amino-5-(3-fluoro-4-methoxyphenyl)-N-hydroxypentanamide?
(3S)-3-amino-5-(3-fluoro-4-methoxyphenyl)-N-hydroxypentanamide has a molecular weight of 256.28 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-5-(3-fluoro-4-methoxyphenyl)-N-hydroxypentanamide is sourced from PubChem (CID 139978521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).