(2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide

C11H21N3O2 — CID 61249248

IUPAC(2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H21N3O2/c1-8(2)10(15)13-6-7-14-11(16)9-4-3-5-12-9/h8-9,12H,3-7H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1
InChIKeyDYCMNAOBMSIJET-VIFPVBQESA-N
MW227.31 g/mol
LogP-0.37
Rot. Bonds5

About (2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide

(2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide (PubChem CID 61249248) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide
PubChem CID61249248
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H21N3O2/c1-8(2)10(15)13-6-7-14-11(16)9-4-3-5-12-9/h8-9,12H,3-7H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1
InChIKeyDYCMNAOBMSIJET-VIFPVBQESA-N
XLogP-0.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylpropanoylamino)ethyl]azepane-2-carboxamide
CID 64564235
N-propylpyrrolidine-2-carboxamide
CID 4984185
(2R)-N-(3-hydroxybutyl)piperidine-2-carboxamide
CID 103808747
(2S)-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide
CID 62639882
(2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide
CID 103796220
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
N-[2-(dimethylcarbamoylamino)ethyl]piperidine-2-carboxamide
CID 83110133
(2R)-N-(7-methyloctyl)piperidine-2-carboxamide
CID 103807890
(2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide
CID 103810225
N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-2-carboxamide
CID 62641689
N-(7-methyloctyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119263597
N-(2,3-dimethylbutyl)pyrrolidine-2-carboxamide
CID 64597278

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide (CID 61249248) is (2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide is CC(C)C(=O)NCCNC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is DYCMNAOBMSIJET-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(2)10(15)13-6-7-14-11(16)9-4-3-5-12-9/h8-9,12H,3-7H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1.
What are the key properties of (2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide?
(2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61249248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).