(2R)-2,5-diamino-N-[(2R)-4-methyl-1-oxopentan-2-yl]pentanamide

C11H23N3O2 — CID 57177866

IUPAC(2R)-2,5-diamino-N-[(2R)-4-methyl-1-oxopentan-2-yl]pentanamide
SMILESCC(C)C[C@H](C=O)NC(=O)[C@H](N)CCCN
InChIInChI=1S/C11H23N3O2/c1-8(2)6-9(7-15)14-11(16)10(13)4-3-5-12/h7-10H,3-6,12-13H2,1-2H3,(H,14,16)/t9-,10-/m1/s1
InChIKeyWAPWACBFXWYBFK-NXEZZACHSA-N
MW229.32 g/mol
LogP-0.22
Rot. Bonds8

About (2R)-2,5-diamino-N-[(2R)-4-methyl-1-oxopentan-2-yl]pentanamide

(2R)-2,5-diamino-N-[(2R)-4-methyl-1-oxopentan-2-yl]pentanamide (PubChem CID 57177866) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2R)-2,5-diamino-N-[(2R)-4-methyl-1-oxopentan-2-yl]pentanamide.

Molecular Properties

Compound Name(2R)-2,5-diamino-N-[(2R)-4-methyl-1-oxopentan-2-yl]pentanamide
PubChem CID57177866
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2R)-2,5-diamino-N-[(2R)-4-methyl-1-oxopentan-2-yl]pentanamide
SMILESCC(C)C[C@H](C=O)NC(=O)[C@H](N)CCCN
InChIInChI=1S/C11H23N3O2/c1-8(2)6-9(7-15)14-11(16)10(13)4-3-5-12/h7-10H,3-6,12-13H2,1-2H3,(H,14,16)/t9-,10-/m1/s1
InChIKeyWAPWACBFXWYBFK-NXEZZACHSA-N
XLogP-0.22
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.22
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 (2R)-2,5-diamino-N-[(2R)-4-methyl-1-oxopentan-2-yl]pentanamide?
The IUPAC name of (2R)-2,5-diamino-N-[(2R)-4-methyl-1-oxopentan-2-yl]pentanamide (CID 57177866) is (2R)-2,5-diamino-N-[(2R)-4-methyl-1-oxopentan-2-yl]pentanamide.
What is the SMILES notation for (2R)-2,5-diamino-N-[(2R)-4-methyl-1-oxopentan-2-yl]pentanamide?
The canonical SMILES for (2R)-2,5-diamino-N-[(2R)-4-methyl-1-oxopentan-2-yl]pentanamide is CC(C)C[C@H](C=O)NC(=O)[C@H](N)CCCN.
What is the InChIKey of (2R)-2,5-diamino-N-[(2R)-4-methyl-1-oxopentan-2-yl]pentanamide?
The InChIKey is WAPWACBFXWYBFK-NXEZZACHSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-8(2)6-9(7-15)14-11(16)10(13)4-3-5-12/h7-10H,3-6,12-13H2,1-2H3,(H,14,16)/t9-,10-/m1/s1.
What are the key properties of (2R)-2,5-diamino-N-[(2R)-4-methyl-1-oxopentan-2-yl]pentanamide?
(2R)-2,5-diamino-N-[(2R)-4-methyl-1-oxopentan-2-yl]pentanamide has a molecular weight of 229.32 g/mol, XLogP of -0.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,5-diamino-N-[(2R)-4-methyl-1-oxopentan-2-yl]pentanamide is sourced from PubChem (CID 57177866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).