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

C10H18N2O4 — CID 114799133

IUPAC3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCC(CCO)C1
InChIInChI=1S/C10H18N2O4/c13-6-3-8-2-5-12(7-8)10(16)11-4-1-9(14)15/h8,13H,1-7H2,(H,11,16)(H,14,15)
InChIKeyKBKNHCIONQSQGF-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.12
Rot. Bonds5

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

3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid (PubChem CID 114799133) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
PubChem CID114799133
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCC(CCO)C1
InChIInChI=1S/C10H18N2O4/c13-6-3-8-2-5-12(7-8)10(16)11-4-1-9(14)15/h8,13H,1-7H2,(H,11,16)(H,14,15)
InChIKeyKBKNHCIONQSQGF-UHFFFAOYSA-N
XLogP-0.12
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid
CID 114799037
2-[2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid
CID 114799147
4-[2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]heptanoic acid
CID 115965821
3-[1-(4-methylsulfanylbutylcarbamoyl)pyrrolidin-3-yl]propanoic acid
CID 113488067
3-[1-(2-propan-2-yloxyethylcarbamoyl)pyrrolidin-3-yl]propanoic acid
CID 104763771
2-[[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]pentanoic acid
CID 114798779
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid
CID 104767982
3-[[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 122018174
3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid
CID 55135166
3-[1-[2-(cyclopenten-1-yl)ethylcarbamoyl]pyrrolidin-3-yl]propanoic acid
CID 106178480
3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 122017885
3-[tert-butyl-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 114799132

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid (CID 114799133) is 3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)N1CCC(CCO)C1.
What is the InChIKey of 3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
The InChIKey is KBKNHCIONQSQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c13-6-3-8-2-5-12(7-8)10(16)11-4-1-9(14)15/h8,13H,1-7H2,(H,11,16)(H,14,15).
What are the key properties of 3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid?
3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 114799133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).