(2S)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]pentanamide

C17H33N3O3 — CID 87637438

IUPAC(2S)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]pentanamide
SMILESCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C17H33N3O3/c1-6-7-13(10-21)19-17(23)15(9-12(4)5)20-16(22)14(18)8-11(2)3/h10-15H,6-9,18H2,1-5H3,(H,19,23)(H,20,22)/t13-,14-,15-/m0/s1
InChIKeyRKUHAJFPEBPTOI-KKUMJFAQSA-N
MW327.47 g/mol
LogP1.37
Rot. Bonds11

About (2S)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]pentanamide

(2S)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]pentanamide (PubChem CID 87637438) has the molecular formula C17H33N3O3 and a molecular weight of 327.47 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]pentanamide
PubChem CID87637438
Molecular FormulaC17H33N3O3
Molecular Weight327.47 g/mol
Exact Mass327.25
IUPAC Name(2S)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]pentanamide
SMILESCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C17H33N3O3/c1-6-7-13(10-21)19-17(23)15(9-12(4)5)20-16(22)14(18)8-11(2)3/h10-15H,6-9,18H2,1-5H3,(H,19,23)(H,20,22)/t13-,14-,15-/m0/s1
InChIKeyRKUHAJFPEBPTOI-KKUMJFAQSA-N
XLogP1.37
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]pentanamide (CID 87637438) is (2S)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]pentanamide is CCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]pentanamide?
The InChIKey is RKUHAJFPEBPTOI-KKUMJFAQSA-N. The full InChI is InChI=1S/C17H33N3O3/c1-6-7-13(10-21)19-17(23)15(9-12(4)5)20-16(22)14(18)8-11(2)3/h10-15H,6-9,18H2,1-5H3,(H,19,23)(H,20,22)/t13-,14-,15-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]pentanamide?
(2S)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]pentanamide has a molecular weight of 327.47 g/mol, XLogP of 1.37, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]pentanamide is sourced from PubChem (CID 87637438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).