cyclopentyl (2S)-2-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]-4-methylpentanoate

C20H29N3O4 — CID 25060255

IUPACcyclopentyl (2S)-2-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]-4-methylpentanoate
SMILESCC(C)C[C@H](NCc1ccc(/C=C/C(=O)NO)nc1)C(=O)OC1CCCC1
InChIInChI=1S/C20H29N3O4/c1-14(2)11-18(20(25)27-17-5-3-4-6-17)22-13-15-7-8-16(21-12-15)9-10-19(24)23-26/h7-10,12,14,17-18,22,26H,3-6,11,13H2,1-2H3,(H,23,24)/b10-9+/t18-/m0/s1
InChIKeyYLPDWOFMOMANDY-BBVFFXRHSA-N
MW375.47 g/mol
LogP2.59
Rot. Bonds9

About cyclopentyl (2S)-2-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]-4-methylpentanoate

cyclopentyl (2S)-2-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]-4-methylpentanoate (PubChem CID 25060255) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is cyclopentyl (2S)-2-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]-4-methylpentanoate.

Molecular Properties

Compound Namecyclopentyl (2S)-2-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]-4-methylpentanoate
PubChem CID25060255
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Namecyclopentyl (2S)-2-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]-4-methylpentanoate
SMILESCC(C)C[C@H](NCc1ccc(/C=C/C(=O)NO)nc1)C(=O)OC1CCCC1
InChIInChI=1S/C20H29N3O4/c1-14(2)11-18(20(25)27-17-5-3-4-6-17)22-13-15-7-8-16(21-12-15)9-10-19(24)23-26/h7-10,12,14,17-18,22,26H,3-6,11,13H2,1-2H3,(H,23,24)/b10-9+/t18-/m0/s1
InChIKeyYLPDWOFMOMANDY-BBVFFXRHSA-N
XLogP2.59
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze cyclopentyl (2S)-2-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]-4-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2S)-2-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]-4-methylpentanoate?
The IUPAC name of cyclopentyl (2S)-2-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]-4-methylpentanoate (CID 25060255) is cyclopentyl (2S)-2-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]-4-methylpentanoate.
What is the SMILES notation for cyclopentyl (2S)-2-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]-4-methylpentanoate?
The canonical SMILES for cyclopentyl (2S)-2-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]-4-methylpentanoate is CC(C)C[C@H](NCc1ccc(/C=C/C(=O)NO)nc1)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl (2S)-2-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]-4-methylpentanoate?
The InChIKey is YLPDWOFMOMANDY-BBVFFXRHSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-14(2)11-18(20(25)27-17-5-3-4-6-17)22-13-15-7-8-16(21-12-15)9-10-19(24)23-26/h7-10,12,14,17-18,22,26H,3-6,11,13H2,1-2H3,(H,23,24)/b10-9+/t18-/m0/s1.
What are the key properties of cyclopentyl (2S)-2-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]-4-methylpentanoate?
cyclopentyl (2S)-2-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]-4-methylpentanoate has a molecular weight of 375.47 g/mol, XLogP of 2.59, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2S)-2-[[6-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-3-pyridinyl]methylamino]-4-methylpentanoate is sourced from PubChem (CID 25060255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).