1-[2-(cyclopropylmethylamino)acetyl]pyrrolidine-2-carboxylic acid

C11H18N2O3 — CID 61157492

IUPAC1-[2-(cyclopropylmethylamino)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CNCC1CC1
InChIInChI=1S/C11H18N2O3/c14-10(7-12-6-8-3-4-8)13-5-1-2-9(13)11(15)16/h8-9,12H,1-7H2,(H,15,16)
InChIKeyRRBNMJKDCCZRMV-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.06
Rot. Bonds5

About 1-[2-(cyclopropylmethylamino)acetyl]pyrrolidine-2-carboxylic acid

1-[2-(cyclopropylmethylamino)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 61157492) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethylamino)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclopropylmethylamino)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID61157492
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[2-(cyclopropylmethylamino)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CNCC1CC1
InChIInChI=1S/C11H18N2O3/c14-10(7-12-6-8-3-4-8)13-5-1-2-9(13)11(15)16/h8-9,12H,1-7H2,(H,15,16)
InChIKeyRRBNMJKDCCZRMV-UHFFFAOYSA-N
XLogP0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 79281055
methyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate
CID 54870307
(2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 61174194
1-(2-cyclobutylpyrrolidin-1-yl)-2-(cyclopropylmethylamino)ethanone
CID 119765732
cyclohexane;methane;1-[2-(methoxyamino)acetyl]pyrrolidine-2-carboxylic acid;propane
CID 143581071
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
(2S)-1-[2-(butanoylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 119365379
[[1-[2-(cyclohexylmethylamino)acetyl]pyrrolidine-2-carbonyl]amino]methylboronic acid
CID 143689970
(2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 15384175
1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid
CID 59676020
1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119356339

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethylamino)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(cyclopropylmethylamino)acetyl]pyrrolidine-2-carboxylic acid (CID 61157492) is 1-[2-(cyclopropylmethylamino)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclopropylmethylamino)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(cyclopropylmethylamino)acetyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)CNCC1CC1.
What is the InChIKey of 1-[2-(cyclopropylmethylamino)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RRBNMJKDCCZRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10(7-12-6-8-3-4-8)13-5-1-2-9(13)11(15)16/h8-9,12H,1-7H2,(H,15,16).
What are the key properties of 1-[2-(cyclopropylmethylamino)acetyl]pyrrolidine-2-carboxylic acid?
1-[2-(cyclopropylmethylamino)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethylamino)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61157492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).