(2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide

C18H31N5O5 — CID 146239829

About (2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide

(2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 146239829) has the molecular formula C18H31N5O5 and a molecular weight of 397.48 g/mol. Its IUPAC name is (2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 146239829
• Molecular Formula: C18H31N5O5
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.23
• IUPAC Name: (2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
• SMILES: CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(N)=O
• InChI: InChI=1S/C18H31N5O5/c1-3-11(15(20)25)21-16(26)12-6-4-8-22(12)17(27)13-7-5-9-23(13)18(28)14(19)10(2)24/h10-14,24H,3-9,19H2,1-2H3,(H2,20,25)(H,21,26)/t10-,11-,12+,13+,14+/m1/s1
• InChIKey: KIAZDYVUIOPABY-DGTMBMJNSA-N
• XLogP: -1.94
• TPSA: 159.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	-1.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide (CID 146239829) is (2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide is CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(N)=O.

What is the InChIKey of (2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?

The InChIKey is KIAZDYVUIOPABY-DGTMBMJNSA-N. The full InChI is InChI=1S/C18H31N5O5/c1-3-11(15(20)25)21-16(26)12-6-4-8-22(12)17(27)13-7-5-9-23(13)18(28)14(19)10(2)24/h10-14,24H,3-9,19H2,1-2H3,(H2,20,25)(H,21,26)/t10-,11-,12+,13+,14+/m1/s1.

What are the key properties of (2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide?

(2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of -1.94, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 146239829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).