2-amino-3-(3-cyano-3-methylpyrrolidin-1-yl)propanoic acid

C9H15N3O2 — CID 164653376

IUPAC2-amino-3-(3-cyano-3-methylpyrrolidin-1-yl)propanoic acid
SMILESCC1(C#N)CCN(CC(N)C(=O)O)C1
InChIInChI=1S/C9H15N3O2/c1-9(5-10)2-3-12(6-9)4-7(11)8(13)14/h7H,2-4,6,11H2,1H3,(H,13,14)
InChIKeyCQLXOHUMGIIEQF-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.37
Rot. Bonds3

About 2-amino-3-(3-cyano-3-methylpyrrolidin-1-yl)propanoic acid

2-amino-3-(3-cyano-3-methylpyrrolidin-1-yl)propanoic acid (PubChem CID 164653376) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-amino-3-(3-cyano-3-methylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-cyano-3-methylpyrrolidin-1-yl)propanoic acid
PubChem CID164653376
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-amino-3-(3-cyano-3-methylpyrrolidin-1-yl)propanoic acid
SMILESCC1(C#N)CCN(CC(N)C(=O)O)C1
InChIInChI=1S/C9H15N3O2/c1-9(5-10)2-3-12(6-9)4-7(11)8(13)14/h7H,2-4,6,11H2,1H3,(H,13,14)
InChIKeyCQLXOHUMGIIEQF-UHFFFAOYSA-N
XLogP-0.37
TPSA90.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cyano-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid
CID 164653373
2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid
CID 62932657
2-amino-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid
CID 106318954
3-methyl-1-pentylpyrrolidine-3-carbonitrile
CID 142123327
2-(3-cyano-3-methylpiperidin-1-yl)acetamide
CID 130666840
2-amino-3-(4-methylpiperazin-1-yl)propanoic acid
CID 10611336
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
3-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carbonitrile
CID 131945394
4-cyano-4-methylpiperidine-1-carboxamide
CID 103975376
1-(4-hydroxybutyl)-4-methylpiperidine-4-carbonitrile
CID 103994156
2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
CID 113363017
(2S)-2-amino-3-(1-methylcyclopropyl)propanoic acid;hydrochloride
CID 155270918

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-cyano-3-methylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(3-cyano-3-methylpyrrolidin-1-yl)propanoic acid (CID 164653376) is 2-amino-3-(3-cyano-3-methylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-cyano-3-methylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-cyano-3-methylpyrrolidin-1-yl)propanoic acid is CC1(C#N)CCN(CC(N)C(=O)O)C1.
What is the InChIKey of 2-amino-3-(3-cyano-3-methylpyrrolidin-1-yl)propanoic acid?
The InChIKey is CQLXOHUMGIIEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(5-10)2-3-12(6-9)4-7(11)8(13)14/h7H,2-4,6,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(3-cyano-3-methylpyrrolidin-1-yl)propanoic acid?
2-amino-3-(3-cyano-3-methylpyrrolidin-1-yl)propanoic acid has a molecular weight of 197.24 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-cyano-3-methylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 164653376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).