2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid

C12H22N2O3 — CID 55166881

IUPAC2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCCCC1(C(=O)NC(CC)C(=O)O)CCNC1
InChIInChI=1S/C12H22N2O3/c1-3-5-12(6-7-13-8-12)11(17)14-9(4-2)10(15)16/h9,13H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyMMCOTQUBPIMBRD-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.75
Rot. Bonds6

About 2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid

2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid (PubChem CID 55166881) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid
PubChem CID55166881
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCCCC1(C(=O)NC(CC)C(=O)O)CCNC1
InChIInChI=1S/C12H22N2O3/c1-3-5-12(6-7-13-8-12)11(17)14-9(4-2)10(15)16/h9,13H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyMMCOTQUBPIMBRD-UHFFFAOYSA-N
XLogP0.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-amino-4-oxo-2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 107824578
(2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 107824549
N-pent-1-yn-3-yl-3-propylpyrrolidine-3-carboxamide
CID 106230204
methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate
CID 63142586
N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 63141705
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520
3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
CID 63128810
methyl 4-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate
CID 63129989
N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81359507
N-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxamide
CID 55178364
2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 63141210
3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
CID 81408896

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid (CID 55166881) is 2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid is CCCC1(C(=O)NC(CC)C(=O)O)CCNC1.
What is the InChIKey of 2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid?
The InChIKey is MMCOTQUBPIMBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-5-12(6-7-13-8-12)11(17)14-9(4-2)10(15)16/h9,13H,3-8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid?
2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 55166881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).