3-[cyclopropyl-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]propanoic acid

C14H24N2O4 — CID 62478683

IUPAC3-[cyclopropyl-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCN(C(=O)N1CCCC1CCCO)C1CC1
InChIInChI=1S/C14H24N2O4/c17-10-2-4-11-3-1-8-15(11)14(20)16(12-5-6-12)9-7-13(18)19/h11-12,17H,1-10H2,(H,18,19)
InChIKeyRWHCDDUQKNLLHY-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.28
Rot. Bonds7

About 3-[cyclopropyl-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]propanoic acid

3-[cyclopropyl-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]propanoic acid (PubChem CID 62478683) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]propanoic acid
PubChem CID62478683
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-[cyclopropyl-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCN(C(=O)N1CCCC1CCCO)C1CC1
InChIInChI=1S/C14H24N2O4/c17-10-2-4-11-3-1-8-15(11)14(20)16(12-5-6-12)9-7-13(18)19/h11-12,17H,1-10H2,(H,18,19)
InChIKeyRWHCDDUQKNLLHY-UHFFFAOYSA-N
XLogP1.28
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61188251
2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-prop-2-enylamino]acetic acid
CID 79285121
2-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 104569851
2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-methylamino]butanoic acid
CID 62479586
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid
CID 62466874
(2S)-1-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 54995466
2-[1-[butyl(cyclopropyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61443667
3-(tert-butylamino)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62478861
2-[[2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid
CID 62478332
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 62469314
3-cyclopentyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62469307
3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83055352

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]propanoic acid (CID 62478683) is 3-[cyclopropyl-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]propanoic acid is O=C(O)CCN(C(=O)N1CCCC1CCCO)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
The InChIKey is RWHCDDUQKNLLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-10-2-4-11-3-1-8-15(11)14(20)16(12-5-6-12)9-7-13(18)19/h11-12,17H,1-10H2,(H,18,19).
What are the key properties of 3-[cyclopropyl-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
3-[cyclopropyl-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 62478683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).