(2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C18H26N4O3 — CID 97317392

IUPAC(2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC[C@@H]1CO)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C18H26N4O3/c1-12(19-18(25)22-10-2-3-16(22)11-23)13-4-6-14(7-5-13)20-17(24)21-15-8-9-15/h4-7,12,15-16,23H,2-3,8-11H2,1H3,(H,19,25)(H2,20,21,24)/t12-,16-/m1/s1
InChIKeyGZDCPPJULQPSLD-MLGOLLRUSA-N
MW346.43 g/mol
LogP2.20
Rot. Bonds5

About (2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 97317392) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID97317392
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC[C@@H]1CO)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C18H26N4O3/c1-12(19-18(25)22-10-2-3-16(22)11-23)13-4-6-14(7-5-13)20-17(24)21-15-8-9-15/h4-7,12,15-16,23H,2-3,8-11H2,1H3,(H,19,25)(H2,20,21,24)/t12-,16-/m1/s1
InChIKeyGZDCPPJULQPSLD-MLGOLLRUSA-N
XLogP2.20
TPSA93.70 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 97317392) is (2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is C[C@@H](NC(=O)N1CCC[C@@H]1CO)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of (2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is GZDCPPJULQPSLD-MLGOLLRUSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12(19-18(25)22-10-2-3-16(22)11-23)13-4-6-14(7-5-13)20-17(24)21-15-8-9-15/h4-7,12,15-16,23H,2-3,8-11H2,1H3,(H,19,25)(H2,20,21,24)/t12-,16-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97317392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).