(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid

C7H12N2O3 — CID 3013625

IUPAC(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid
SMILESNCC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)/t5-/m0/s1
InChIKeyKZNQNBZMBZJQJO-YFKPBYRVSA-N
MW172.18 g/mol
LogP-0.98
Rot. Bonds2

About (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid (PubChem CID 3013625) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid
PubChem CID3013625
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid
SMILESNCC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)/t5-/m0/s1
InChIKeyKZNQNBZMBZJQJO-YFKPBYRVSA-N
XLogP-0.98
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid (CID 3013625) is (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid is NCC(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KZNQNBZMBZJQJO-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid has a molecular weight of 172.18 g/mol, XLogP of -0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3013625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).