(3R)-2,3-dimethyl-N-[(3S)-3-methyl-1-oxopentan-2-yl]pentanamide

C13H25NO2 — CID 172568170

IUPAC(3R)-2,3-dimethyl-N-[(3S)-3-methyl-1-oxopentan-2-yl]pentanamide
SMILESCC[C@@H](C)C(C)C(=O)NC(C=O)[C@@H](C)CC
InChIInChI=1S/C13H25NO2/c1-6-9(3)11(5)13(16)14-12(8-15)10(4)7-2/h8-12H,6-7H2,1-5H3,(H,14,16)/t9-,10+,11?,12?/m1/s1
InChIKeyNUNRLCINZICQTF-QKEWWQLBSA-N
MW227.35 g/mol
LogP2.40
Rot. Bonds7

About (3R)-2,3-dimethyl-N-[(3S)-3-methyl-1-oxopentan-2-yl]pentanamide

(3R)-2,3-dimethyl-N-[(3S)-3-methyl-1-oxopentan-2-yl]pentanamide (PubChem CID 172568170) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (3R)-2,3-dimethyl-N-[(3S)-3-methyl-1-oxopentan-2-yl]pentanamide.

Molecular Properties

Compound Name(3R)-2,3-dimethyl-N-[(3S)-3-methyl-1-oxopentan-2-yl]pentanamide
PubChem CID172568170
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(3R)-2,3-dimethyl-N-[(3S)-3-methyl-1-oxopentan-2-yl]pentanamide
SMILESCC[C@@H](C)C(C)C(=O)NC(C=O)[C@@H](C)CC
InChIInChI=1S/C13H25NO2/c1-6-9(3)11(5)13(16)14-12(8-15)10(4)7-2/h8-12H,6-7H2,1-5H3,(H,14,16)/t9-,10+,11?,12?/m1/s1
InChIKeyNUNRLCINZICQTF-QKEWWQLBSA-N
XLogP2.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide
CID 22819051
N-(3-methyl-1-oxopentan-2-yl)propanamide
CID 19592258
(3-methyl-1-oxopentan-2-yl)carbamic acid
CID 22368838
(2S)-2-amino-3-hydroxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide
CID 52914805
3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide
CID 123144542
(2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 102069271
N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide
CID 173402409
3-(2,3-dimethylpentanoylamino)-3-(4-fluorophenyl)propanoic acid
CID 120513080
2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid
CID 20766230
2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide
CID 173108274
2-cyclopropyl-2-(2,3-dimethylpentanoylamino)acetic acid
CID 120521237
(3S)-3-[2-[(2S,3S)-3-methyl-1-oxopentan-2-yl]hydrazinyl]-4-oxobutanamide
CID 130265205

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dimethyl-N-[(3S)-3-methyl-1-oxopentan-2-yl]pentanamide?
The IUPAC name of (3R)-2,3-dimethyl-N-[(3S)-3-methyl-1-oxopentan-2-yl]pentanamide (CID 172568170) is (3R)-2,3-dimethyl-N-[(3S)-3-methyl-1-oxopentan-2-yl]pentanamide.
What is the SMILES notation for (3R)-2,3-dimethyl-N-[(3S)-3-methyl-1-oxopentan-2-yl]pentanamide?
The canonical SMILES for (3R)-2,3-dimethyl-N-[(3S)-3-methyl-1-oxopentan-2-yl]pentanamide is CC[C@@H](C)C(C)C(=O)NC(C=O)[C@@H](C)CC.
What is the InChIKey of (3R)-2,3-dimethyl-N-[(3S)-3-methyl-1-oxopentan-2-yl]pentanamide?
The InChIKey is NUNRLCINZICQTF-QKEWWQLBSA-N. The full InChI is InChI=1S/C13H25NO2/c1-6-9(3)11(5)13(16)14-12(8-15)10(4)7-2/h8-12H,6-7H2,1-5H3,(H,14,16)/t9-,10+,11?,12?/m1/s1.
What are the key properties of (3R)-2,3-dimethyl-N-[(3S)-3-methyl-1-oxopentan-2-yl]pentanamide?
(3R)-2,3-dimethyl-N-[(3S)-3-methyl-1-oxopentan-2-yl]pentanamide has a molecular weight of 227.35 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dimethyl-N-[(3S)-3-methyl-1-oxopentan-2-yl]pentanamide is sourced from PubChem (CID 172568170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).