(2S)-1-[2-[(4-formylcyclohexyl)amino]acetyl]pyrrolidine-2-carboxamide

C14H23N3O3 — CID 143684095

IUPAC(2S)-1-[2-[(4-formylcyclohexyl)amino]acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)CNC1CCC(C=O)CC1
InChIInChI=1S/C14H23N3O3/c15-14(20)12-2-1-7-17(12)13(19)8-16-11-5-3-10(9-18)4-6-11/h9-12,16H,1-8H2,(H2,15,20)/t10?,11?,12-/m0/s1
InChIKeyFLYVJGVQEBCVMY-MCIGGMRASA-N
MW281.36 g/mol
LogP-0.19
Rot. Bonds5

About (2S)-1-[2-[(4-formylcyclohexyl)amino]acetyl]pyrrolidine-2-carboxamide

(2S)-1-[2-[(4-formylcyclohexyl)amino]acetyl]pyrrolidine-2-carboxamide (PubChem CID 143684095) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2S)-1-[2-[(4-formylcyclohexyl)amino]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[(4-formylcyclohexyl)amino]acetyl]pyrrolidine-2-carboxamide
PubChem CID143684095
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name(2S)-1-[2-[(4-formylcyclohexyl)amino]acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)CNC1CCC(C=O)CC1
InChIInChI=1S/C14H23N3O3/c15-14(20)12-2-1-7-17(12)13(19)8-16-11-5-3-10(9-18)4-6-11/h9-12,16H,1-8H2,(H2,15,20)/t10?,11?,12-/m0/s1
InChIKeyFLYVJGVQEBCVMY-MCIGGMRASA-N
XLogP-0.19
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(4-formylcyclohexyl)amino]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[(4-formylcyclohexyl)amino]acetyl]pyrrolidine-2-carboxamide (CID 143684095) is (2S)-1-[2-[(4-formylcyclohexyl)amino]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[(4-formylcyclohexyl)amino]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[(4-formylcyclohexyl)amino]acetyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1C(=O)CNC1CCC(C=O)CC1.
What is the InChIKey of (2S)-1-[2-[(4-formylcyclohexyl)amino]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is FLYVJGVQEBCVMY-MCIGGMRASA-N. The full InChI is InChI=1S/C14H23N3O3/c15-14(20)12-2-1-7-17(12)13(19)8-16-11-5-3-10(9-18)4-6-11/h9-12,16H,1-8H2,(H2,15,20)/t10?,11?,12-/m0/s1.
What are the key properties of (2S)-1-[2-[(4-formylcyclohexyl)amino]acetyl]pyrrolidine-2-carboxamide?
(2S)-1-[2-[(4-formylcyclohexyl)amino]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[(4-formylcyclohexyl)amino]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 143684095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).