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

C10H21N3O2 — CID 115180122

IUPAC2-amino-3-hydroxy-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
SMILESCN1CCC(CCNC(=O)C(N)CO)C1
InChIInChI=1S/C10H21N3O2/c1-13-5-3-8(6-13)2-4-12-10(15)9(11)7-14/h8-9,14H,2-7,11H2,1H3,(H,12,15)
InChIKeyZCBQFGRIOZTFKY-UHFFFAOYSA-N
MW215.30 g/mol
LogP-1.24
Rot. Bonds5

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

2-amino-3-hydroxy-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide (PubChem CID 115180122) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
PubChem CID115180122
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-amino-3-hydroxy-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
SMILESCN1CCC(CCNC(=O)C(N)CO)C1
InChIInChI=1S/C10H21N3O2/c1-13-5-3-8(6-13)2-4-12-10(15)9(11)7-14/h8-9,14H,2-7,11H2,1H3,(H,12,15)
InChIKeyZCBQFGRIOZTFKY-UHFFFAOYSA-N
XLogP-1.24
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[2-(1-methylpyrrolidin-3-yl)ethylamino]-3-oxopropanoic acid
CID 115179485
2-amino-N-(2-cyclopentylethyl)-3-hydroxypropanamide
CID 115180115
(2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide
CID 70364930
N'-[2-(1-methylpyrrolidin-3-yl)ethyl]oxamide
CID 115192169
(2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride
CID 154912241
(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143
2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115186732
2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865894
4-[2-(1-methylpyrrolidin-3-yl)ethylamino]-4-oxobutanoic acid
CID 115163740
2-(1-methylpiperidin-3-yl)ethylurea
CID 115168583
(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61146973
(2S)-2-amino-N-(2-cyclobutylethyl)pentanamide
CID 107570634

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide?
The IUPAC name of 2-amino-3-hydroxy-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide (CID 115180122) is 2-amino-3-hydroxy-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide is CN1CCC(CCNC(=O)C(N)CO)C1.
What is the InChIKey of 2-amino-3-hydroxy-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide?
The InChIKey is ZCBQFGRIOZTFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-13-5-3-8(6-13)2-4-12-10(15)9(11)7-14/h8-9,14H,2-7,11H2,1H3,(H,12,15).
What are the key properties of 2-amino-3-hydroxy-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide?
2-amino-3-hydroxy-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide has a molecular weight of 215.30 g/mol, XLogP of -1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide is sourced from PubChem (CID 115180122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).