(4-methylcyclohexyl) N-[[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidin-2-yl]-hydroxymethyl]carbamate

C23H39N3O6 — CID 143403656

IUPAC(4-methylcyclohexyl) N-[[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidin-2-yl]-hydroxymethyl]carbamate
SMILESCC1CCC(OC(=O)NC(O)[C@@H]2CCCN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)CC1
InChIInChI=1S/C23H39N3O6/c1-16-8-10-19(11-9-16)32-23(30)24-21(28)20-7-4-12-26(20)22(29)18(14-25(31)15-27)13-17-5-2-3-6-17/h15-21,28,31H,2-14H2,1H3,(H,24,30)/t16?,18-,19?,20+,21?/m1/s1
InChIKeyGSYCBRXZNVXYKN-LVXIJUMASA-N
MW453.58 g/mol
LogP2.64
Rot. Bonds9

About (4-methylcyclohexyl) N-[[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidin-2-yl]-hydroxymethyl]carbamate

(4-methylcyclohexyl) N-[[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidin-2-yl]-hydroxymethyl]carbamate (PubChem CID 143403656) has the molecular formula C23H39N3O6 and a molecular weight of 453.58 g/mol. Its IUPAC name is (4-methylcyclohexyl) N-[[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidin-2-yl]-hydroxymethyl]carbamate.

Molecular Properties

Compound Name(4-methylcyclohexyl) N-[[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidin-2-yl]-hydroxymethyl]carbamate
PubChem CID143403656
Molecular FormulaC23H39N3O6
Molecular Weight453.58 g/mol
Exact Mass453.28
IUPAC Name(4-methylcyclohexyl) N-[[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidin-2-yl]-hydroxymethyl]carbamate
SMILESCC1CCC(OC(=O)NC(O)[C@@H]2CCCN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)CC1
InChIInChI=1S/C23H39N3O6/c1-16-8-10-19(11-9-16)32-23(30)24-21(28)20-7-4-12-26(20)22(29)18(14-25(31)15-27)13-17-5-2-3-6-17/h15-21,28,31H,2-14H2,1H3,(H,24,30)/t16?,18-,19?,20+,21?/m1/s1
InChIKeyGSYCBRXZNVXYKN-LVXIJUMASA-N
XLogP2.64
TPSA119.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4-methylcyclohexyl) N-[[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidin-2-yl]-hydroxymethyl]carbamate 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 (4-methylcyclohexyl) N-[[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidin-2-yl]-hydroxymethyl]carbamate?
The IUPAC name of (4-methylcyclohexyl) N-[[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidin-2-yl]-hydroxymethyl]carbamate (CID 143403656) is (4-methylcyclohexyl) N-[[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidin-2-yl]-hydroxymethyl]carbamate.
What is the SMILES notation for (4-methylcyclohexyl) N-[[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidin-2-yl]-hydroxymethyl]carbamate?
The canonical SMILES for (4-methylcyclohexyl) N-[[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidin-2-yl]-hydroxymethyl]carbamate is CC1CCC(OC(=O)NC(O)[C@@H]2CCCN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)CC1.
What is the InChIKey of (4-methylcyclohexyl) N-[[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidin-2-yl]-hydroxymethyl]carbamate?
The InChIKey is GSYCBRXZNVXYKN-LVXIJUMASA-N. The full InChI is InChI=1S/C23H39N3O6/c1-16-8-10-19(11-9-16)32-23(30)24-21(28)20-7-4-12-26(20)22(29)18(14-25(31)15-27)13-17-5-2-3-6-17/h15-21,28,31H,2-14H2,1H3,(H,24,30)/t16?,18-,19?,20+,21?/m1/s1.
What are the key properties of (4-methylcyclohexyl) N-[[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidin-2-yl]-hydroxymethyl]carbamate?
(4-methylcyclohexyl) N-[[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidin-2-yl]-hydroxymethyl]carbamate has a molecular weight of 453.58 g/mol, XLogP of 2.64, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl) N-[[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidin-2-yl]-hydroxymethyl]carbamate is sourced from PubChem (CID 143403656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).