(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

C13H22N4O3 — CID 44563946

IUPAC(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(N)=O
InChIInChI=1S/C13H22N4O3/c1-8(11(14)18)16-12(19)10-5-3-7-17(10)13(20)9-4-2-6-15-9/h8-10,15H,2-7H2,1H3,(H2,14,18)(H,16,19)/t8-,9-,10-/m0/s1
InChIKeyJTOQGJMCFNSSMG-GUBZILKMSA-N
MW282.34 g/mol
LogP-1.28
Rot. Bonds4

About (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 44563946) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
PubChem CID44563946
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(N)=O
InChIInChI=1S/C13H22N4O3/c1-8(11(14)18)16-12(19)10-5-3-7-17(10)13(20)9-4-2-6-15-9/h8-10,15H,2-7H2,1H3,(H2,14,18)(H,16,19)/t8-,9-,10-/m0/s1
InChIKeyJTOQGJMCFNSSMG-GUBZILKMSA-N
XLogP-1.28
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (CID 44563946) is (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(N)=O.
What is the InChIKey of (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is JTOQGJMCFNSSMG-GUBZILKMSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-8(11(14)18)16-12(19)10-5-3-7-17(10)13(20)9-4-2-6-15-9/h8-10,15H,2-7H2,1H3,(H2,14,18)(H,16,19)/t8-,9-,10-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of -1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 44563946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).