(2R)-2-(propan-2-ylamino)pentan-3-one

C8H17NO — CID 89390252

IUPAC(2R)-2-(propan-2-ylamino)pentan-3-one
SMILESCCC(=O)[C@@H](C)NC(C)C
InChIInChI=1S/C8H17NO/c1-5-8(10)7(4)9-6(2)3/h6-7,9H,5H2,1-4H3/t7-/m1/s1
InChIKeyHWLPCPNZQXSFBK-SSDOTTSWSA-N
MW143.23 g/mol
LogP1.35
Rot. Bonds4

About (2R)-2-(propan-2-ylamino)pentan-3-one

(2R)-2-(propan-2-ylamino)pentan-3-one (PubChem CID 89390252) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2R)-2-(propan-2-ylamino)pentan-3-one.

Molecular Properties

Compound Name(2R)-2-(propan-2-ylamino)pentan-3-one
PubChem CID89390252
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2R)-2-(propan-2-ylamino)pentan-3-one
SMILESCCC(=O)[C@@H](C)NC(C)C
InChIInChI=1S/C8H17NO/c1-5-8(10)7(4)9-6(2)3/h6-7,9H,5H2,1-4H3/t7-/m1/s1
InChIKeyHWLPCPNZQXSFBK-SSDOTTSWSA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(propan-2-ylamino)pentan-3-one?
The IUPAC name of (2R)-2-(propan-2-ylamino)pentan-3-one (CID 89390252) is (2R)-2-(propan-2-ylamino)pentan-3-one.
What is the SMILES notation for (2R)-2-(propan-2-ylamino)pentan-3-one?
The canonical SMILES for (2R)-2-(propan-2-ylamino)pentan-3-one is CCC(=O)[C@@H](C)NC(C)C.
What is the InChIKey of (2R)-2-(propan-2-ylamino)pentan-3-one?
The InChIKey is HWLPCPNZQXSFBK-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-8(10)7(4)9-6(2)3/h6-7,9H,5H2,1-4H3/t7-/m1/s1.
What are the key properties of (2R)-2-(propan-2-ylamino)pentan-3-one?
(2R)-2-(propan-2-ylamino)pentan-3-one has a molecular weight of 143.23 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(propan-2-ylamino)pentan-3-one is sourced from PubChem (CID 89390252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).