(2S)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxamide

C16H28N4O3 — CID 71377041

IUPAC(2S)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C16H28N4O3/c1-10(2)9-12(19-15(22)11-5-3-7-18-11)16(23)20-8-4-6-13(20)14(17)21/h10-13,18H,3-9H2,1-2H3,(H2,17,21)(H,19,22)/t11-,12-,13-/m0/s1
InChIKeyJTWUDUZIJUUMNR-AVGNSLFASA-N
MW324.43 g/mol
LogP-0.25
Rot. Bonds6

About (2S)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxamide

(2S)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxamide (PubChem CID 71377041) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is (2S)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxamide
PubChem CID71377041
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name(2S)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C16H28N4O3/c1-10(2)9-12(19-15(22)11-5-3-7-18-11)16(23)20-8-4-6-13(20)14(17)21/h10-13,18H,3-9H2,1-2H3,(H2,17,21)(H,19,22)/t11-,12-,13-/m0/s1
InChIKeyJTWUDUZIJUUMNR-AVGNSLFASA-N
XLogP-0.25
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

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CID 92910
Elastins
CID 439221
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CID 71230
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CID 11499834
(2S)-aminobutyryl-L-proline n-butylamide
CID 11514390
(2S)-aminobutyryl-L-proline n-pentylamide
CID 11615987
L-valyl-L-proline hexylamide
CID 11623539
(2S)-aminobutyryl-L-proline n-propylamide
CID 11637307
L-Alanyl-L-valyl-L-prolyl-L-isoleucinamide
CID 23646361
Tasidotin Hydrochloride
CID 11479259
Tasidotin
CID 9895066
(2S)-aminobutyryl-L-proline-(2S)-methylbutylamide
CID 11623159

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxamide (CID 71377041) is (2S)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxamide is CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxamide?
The InChIKey is JTWUDUZIJUUMNR-AVGNSLFASA-N. The full InChI is InChI=1S/C16H28N4O3/c1-10(2)9-12(19-15(22)11-5-3-7-18-11)16(23)20-8-4-6-13(20)14(17)21/h10-13,18H,3-9H2,1-2H3,(H2,17,21)(H,19,22)/t11-,12-,13-/m0/s1.
What are the key properties of (2S)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of -0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 71377041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).