(2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid

C7H12N2O3 — CID 57122490

IUPAC(2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid
SMILESNC(=O)CN1CCC[C@H]1C(=O)O
InChIInChI=1S/C7H12N2O3/c8-6(10)4-9-3-1-2-5(9)7(11)12/h5H,1-4H2,(H2,8,10)(H,11,12)/t5-/m0/s1
InChIKeyBFANWYRJYFVEKF-YFKPBYRVSA-N
MW172.18 g/mol
LogP-0.98
Rot. Bonds3

About (2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid (PubChem CID 57122490) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is (2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid
PubChem CID57122490
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name(2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid
SMILESNC(=O)CN1CCC[C@H]1C(=O)O
InChIInChI=1S/C7H12N2O3/c8-6(10)4-9-3-1-2-5(9)7(11)12/h5H,1-4H2,(H2,8,10)(H,11,12)/t5-/m0/s1
InChIKeyBFANWYRJYFVEKF-YFKPBYRVSA-N
XLogP-0.98
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

1-(2-oxobutyl)pyrrolidine-2-carboxylic acid
CID 82406232
1-(2-chloroprop-2-enyl)pyrrolidine-2-carboxylic acid
CID 13396240
1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 22717280
1-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 63653380
1-(2-amino-2-oxoethyl)-2-methylpiperidine-3-carboxylic acid
CID 131173226
(2S)-1-[2-(azepan-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910511
1-[2-(carbamoylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441026
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426657
1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64562960
(2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylic acid
CID 51440975

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid (CID 57122490) is (2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid is NC(=O)CN1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is BFANWYRJYFVEKF-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2O3/c8-6(10)4-9-3-1-2-5(9)7(11)12/h5H,1-4H2,(H2,8,10)(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 172.18 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 57122490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).