2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid

C10H18N2O3 — CID 62669553

IUPAC2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
SMILESCC(CNC(=O)CC1CCCN1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(10(14)15)6-12-9(13)5-8-3-2-4-11-8/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyIYBGSBZKVQWABD-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.03
Rot. Bonds5

About 2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid

2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid (PubChem CID 62669553) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
PubChem CID62669553
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
SMILESCC(CNC(=O)CC1CCCN1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(10(14)15)6-12-9(13)5-8-3-2-4-11-8/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyIYBGSBZKVQWABD-UHFFFAOYSA-N
XLogP-0.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanoic acid
CID 81073110
2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 77233359
(2S)-2-amino-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 67154447
N-[2-(2-methylpropylamino)-2-oxoethyl]-2-pyrrolidin-2-ylacetamide
CID 112701818
N-(2,3-dimethylbutyl)-2-piperidin-2-ylacetamide
CID 64599334
N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119752490
2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
CID 61365863
N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide
CID 119804444
N-[2-(diethylamino)-4-methylpentyl]-2-pyrrolidin-2-ylacetamide
CID 119842297
N-(2-phenoxypropyl)-2-pyrrolidin-2-ylacetamide
CID 119734660
N-[2-(propan-2-ylsulfamoyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119758912
(2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoic acid
CID 103869971

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid (CID 62669553) is 2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid is CC(CNC(=O)CC1CCCN1)C(=O)O.
What is the InChIKey of 2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid?
The InChIKey is IYBGSBZKVQWABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(10(14)15)6-12-9(13)5-8-3-2-4-11-8/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid?
2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid has a molecular weight of 214.26 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 62669553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).