(5R)-4-amino-2,5-dimethylheptan-3-one

C9H19NO — CID 59877270

IUPAC(5R)-4-amino-2,5-dimethylheptan-3-one
SMILESCC[C@@H](C)C(N)C(=O)C(C)C
InChIInChI=1S/C9H19NO/c1-5-7(4)8(10)9(11)6(2)3/h6-8H,5,10H2,1-4H3/t7-,8?/m1/s1
InChIKeyRNXPJDNPMPERPI-GVHYBUMESA-N
MW157.26 g/mol
LogP1.58
Rot. Bonds4

About (5R)-4-amino-2,5-dimethylheptan-3-one

(5R)-4-amino-2,5-dimethylheptan-3-one (PubChem CID 59877270) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (5R)-4-amino-2,5-dimethylheptan-3-one.

Molecular Properties

Compound Name(5R)-4-amino-2,5-dimethylheptan-3-one
PubChem CID59877270
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(5R)-4-amino-2,5-dimethylheptan-3-one
SMILESCC[C@@H](C)C(N)C(=O)C(C)C
InChIInChI=1S/C9H19NO/c1-5-7(4)8(10)9(11)6(2)3/h6-8H,5,10H2,1-4H3/t7-,8?/m1/s1
InChIKeyRNXPJDNPMPERPI-GVHYBUMESA-N
XLogP1.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-methylpentanamide
CID 10290817
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
(3S)-2-amino-3-methylpentanamide;sulfane
CID 159517895
2-amino-3-methylpentanoic acid;manganese
CID 175109832
2-amino-3-methylpentanoic acid;azane
CID 87185080
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
azanium (2S,3S)-2-amino-3-methylpentanoate
CID 77105060
chloro (2S,3S)-2-amino-3-methylpentanoate
CID 87588492
2-amino-3-methylpentanamide;2,3-dimethylbutane
CID 22928550

Frequently Asked Questions

What is the IUPAC name of (5R)-4-amino-2,5-dimethylheptan-3-one?
The IUPAC name of (5R)-4-amino-2,5-dimethylheptan-3-one (CID 59877270) is (5R)-4-amino-2,5-dimethylheptan-3-one.
What is the SMILES notation for (5R)-4-amino-2,5-dimethylheptan-3-one?
The canonical SMILES for (5R)-4-amino-2,5-dimethylheptan-3-one is CC[C@@H](C)C(N)C(=O)C(C)C.
What is the InChIKey of (5R)-4-amino-2,5-dimethylheptan-3-one?
The InChIKey is RNXPJDNPMPERPI-GVHYBUMESA-N. The full InChI is InChI=1S/C9H19NO/c1-5-7(4)8(10)9(11)6(2)3/h6-8H,5,10H2,1-4H3/t7-,8?/m1/s1.
What are the key properties of (5R)-4-amino-2,5-dimethylheptan-3-one?
(5R)-4-amino-2,5-dimethylheptan-3-one has a molecular weight of 157.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-amino-2,5-dimethylheptan-3-one is sourced from PubChem (CID 59877270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).