(2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide

C10H21N3O — CID 66565875

IUPAC(2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
SMILESCCN(C(=O)[C@H](C)N)[C@@H]1CCN(C)C1
InChIInChI=1S/C10H21N3O/c1-4-13(10(14)8(2)11)9-5-6-12(3)7-9/h8-9H,4-7,11H2,1-3H3/t8-,9+/m0/s1
InChIKeyUANBCDUZLHMKHF-DTWKUNHWSA-N
MW199.30 g/mol
LogP-0.11
Rot. Bonds3

About (2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide

(2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide (PubChem CID 66565875) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
PubChem CID66565875
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name(2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
SMILESCCN(C(=O)[C@H](C)N)[C@@H]1CCN(C)C1
InChIInChI=1S/C10H21N3O/c1-4-13(10(14)8(2)11)9-5-6-12(3)7-9/h8-9H,4-7,11H2,1-3H3/t8-,9+/m0/s1
InChIKeyUANBCDUZLHMKHF-DTWKUNHWSA-N
XLogP-0.11
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-cyclopropyl-N-ethylpropanamide
CID 43264257
ethane;N-ethyl-N-(1-methylpyrrolidin-3-yl)acetamide
CID 143734601
(2S)-2-amino-N-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 66565879
(2R)-2-amino-N-ethyl-N-[(3S)-thiolan-3-yl]propanamide
CID 129496555
2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 66565746
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 78973243
(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409
2-amino-N-cyclopropyl-3-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]butanamide
CID 121226146
ethane;2-hydroxyethyl N-ethyl-N-(1-methylpyrrolidin-3-yl)carbamate
CID 143973901
N-ethyl-N-(1-ethylpyrrolidin-3-yl)-2-methylpropanamide
CID 22954158
(2S)-2-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)propanamide;hydrochloride
CID 119294790
(2S)-2-amino-N-cyclopropyl-3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
CID 66565973

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide (CID 66565875) is (2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide is CCN(C(=O)[C@H](C)N)[C@@H]1CCN(C)C1.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide?
The InChIKey is UANBCDUZLHMKHF-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-13(10(14)8(2)11)9-5-6-12(3)7-9/h8-9H,4-7,11H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide?
(2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide has a molecular weight of 199.30 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 66565875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).