2-[cyclopropyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid

C10H16N2O3 — CID 107530306

IUPAC2-[cyclopropyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid
SMILESO=C(O)CN(CC1CCC(=O)N1)C1CC1
InChIInChI=1S/C10H16N2O3/c13-9-4-1-7(11-9)5-12(6-10(14)15)8-2-3-8/h7-8H,1-6H2,(H,11,13)(H,14,15)
InChIKeyBYAJNULBMPWJAR-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.19
Rot. Bonds5

About 2-[cyclopropyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid

2-[cyclopropyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid (PubChem CID 107530306) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[cyclopropyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid
PubChem CID107530306
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[cyclopropyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid
SMILESO=C(O)CN(CC1CCC(=O)N1)C1CC1
InChIInChI=1S/C10H16N2O3/c13-9-4-1-7(11-9)5-12(6-10(14)15)8-2-3-8/h7-8H,1-6H2,(H,11,13)(H,14,15)
InChIKeyBYAJNULBMPWJAR-UHFFFAOYSA-N
XLogP-0.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

L-Prolylglycine
CID 6426709
L-prolinylglycine zwitterion
CID 7408076
Glycyl-prolyl-glutamic acid
CID 3080768
N-(Hydroxy(pyrrolidin-2-yl)methylidene)alanine
CID 418041
L-Prolyl-L-valine
CID 152307
(2R)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pentanedioic acid
CID 9922398
Pro-val
CID 142984
5-Oxo-L-prolylglycine
CID 152981
L-Prolyl-L-alanine
CID 6347578
Gln-Pro
CID 11736661
Glycyl-glycyl-proline
CID 97051
Ala-Pro-Gly
CID 11902903

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid (CID 107530306) is 2-[cyclopropyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid is O=C(O)CN(CC1CCC(=O)N1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid?
The InChIKey is BYAJNULBMPWJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-9-4-1-7(11-9)5-12(6-10(14)15)8-2-3-8/h7-8H,1-6H2,(H,11,13)(H,14,15).
What are the key properties of 2-[cyclopropyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid?
2-[cyclopropyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid has a molecular weight of 212.25 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(5-oxopyrrolidin-2-yl)methyl]amino]acetic acid is sourced from PubChem (CID 107530306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).