(2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide

C9H19N3O — CID 130979651

IUPAC(2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide
SMILESCCN1CCC(NC(=O)[C@H](C)N)C1
InChIInChI=1S/C9H19N3O/c1-3-12-5-4-8(6-12)11-9(13)7(2)10/h7-8H,3-6,10H2,1-2H3,(H,11,13)/t7-,8?/m0/s1
InChIKeyONHPHOWBMSWPNO-JAMMHHFISA-N
MW185.27 g/mol
LogP-0.46
Rot. Bonds3

About (2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide

(2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide (PubChem CID 130979651) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide
PubChem CID130979651
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide
SMILESCCN1CCC(NC(=O)[C@H](C)N)C1
InChIInChI=1S/C9H19N3O/c1-3-12-5-4-8(6-12)11-9(13)7(2)10/h7-8H,3-6,10H2,1-2H3,(H,11,13)/t7-,8?/m0/s1
InChIKeyONHPHOWBMSWPNO-JAMMHHFISA-N
XLogP-0.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834930
(2R)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834920
2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 83623800
2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 121226101
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
methyl N-(1-ethylpyrrolidin-3-yl)carbamate
CID 67579436
(2S)-2-amino-N-(1-ethylpiperidin-4-yl)pentanamide
CID 107569104
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)pentanamide
CID 103813279
(3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid
CID 70098972
2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide
CID 54917233
2-bromo-N-(1-ethylpiperidin-3-yl)propanamide
CID 107904785
6-amino-N-(1-ethylpiperidin-4-yl)-2-methylheptanamide
CID 65292005

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide (CID 130979651) is (2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide is CCN1CCC(NC(=O)[C@H](C)N)C1.
What is the InChIKey of (2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide?
The InChIKey is ONHPHOWBMSWPNO-JAMMHHFISA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-12-5-4-8(6-12)11-9(13)7(2)10/h7-8H,3-6,10H2,1-2H3,(H,11,13)/t7-,8?/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide?
(2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide has a molecular weight of 185.27 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 130979651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).