(3S,4S)-3-(2-aminoethyl)-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide

C11H23N3O — CID 165444731

IUPAC(3S,4S)-3-(2-aminoethyl)-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1C[C@@H](CCN)[C@H](C)C1
InChIInChI=1S/C11H23N3O/c1-8(2)13-11(15)14-6-9(3)10(7-14)4-5-12/h8-10H,4-7,12H2,1-3H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyIEKIMAXECHNJKT-NXEZZACHSA-N
MW213.32 g/mol
LogP1.02
Rot. Bonds3

About (3S,4S)-3-(2-aminoethyl)-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide

(3S,4S)-3-(2-aminoethyl)-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 165444731) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (3S,4S)-3-(2-aminoethyl)-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4S)-3-(2-aminoethyl)-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID165444731
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(3S,4S)-3-(2-aminoethyl)-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1C[C@@H](CCN)[C@H](C)C1
InChIInChI=1S/C11H23N3O/c1-8(2)13-11(15)14-6-9(3)10(7-14)4-5-12/h8-10H,4-7,12H2,1-3H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyIEKIMAXECHNJKT-NXEZZACHSA-N
XLogP1.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 103576202
(3R,5S)-3-hydroxy-5-methyl-N-propan-2-ylpiperidine-1-carboxamide
CID 130900909
4-amino-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide
CID 81458117
[(3S,4S)-3-(2-aminoethyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 165444725
2-(aminomethyl)-N-propan-2-ylmorpholine-4-carboxamide
CID 61337402
(3aR,6aS)-5-oxo-N-propan-2-yl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 59614286
(3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 29057369
(2R)-2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 79180632
N-propan-2-ylazetidine-1-carboxamide
CID 126972093
(3S,4S)-1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085897
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 55230725
(3R,4S)-3-ethyl-4-methylpyrrolidine-1-carboxamide
CID 95049046

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(2-aminoethyl)-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3S,4S)-3-(2-aminoethyl)-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide (CID 165444731) is (3S,4S)-3-(2-aminoethyl)-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S,4S)-3-(2-aminoethyl)-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S,4S)-3-(2-aminoethyl)-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide is CC(C)NC(=O)N1C[C@@H](CCN)[C@H](C)C1.
What is the InChIKey of (3S,4S)-3-(2-aminoethyl)-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is IEKIMAXECHNJKT-NXEZZACHSA-N. The full InChI is InChI=1S/C11H23N3O/c1-8(2)13-11(15)14-6-9(3)10(7-14)4-5-12/h8-10H,4-7,12H2,1-3H3,(H,13,15)/t9-,10-/m1/s1.
What are the key properties of (3S,4S)-3-(2-aminoethyl)-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide?
(3S,4S)-3-(2-aminoethyl)-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(2-aminoethyl)-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 165444731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).