(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide

C12H26N2O — CID 42314652

IUPAC(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
SMILESCCCN(CCC)C(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C12H26N2O/c1-5-8-14(9-6-2)12(15)11(13)10(4)7-3/h10-11H,5-9,13H2,1-4H3/t10-,11-/m0/s1
InChIKeyKPWFDPOFBLTZOD-QWRGUYRKSA-N
MW214.35 g/mol
LogP2.01
Rot. Bonds7

About (2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide

(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide (PubChem CID 42314652) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
PubChem CID42314652
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
SMILESCCCN(CCC)C(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C12H26N2O/c1-5-8-14(9-6-2)12(15)11(13)10(4)7-3/h10-11H,5-9,13H2,1-4H3/t10-,11-/m0/s1
InChIKeyKPWFDPOFBLTZOD-QWRGUYRKSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate
CID 61173929
(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
CID 22690786
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylpentanamide
CID 104861622
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide
CID 54880078
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide
CID 79471014
(2R)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-propylbutanamide
CID 79012704
2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylpentanamide
CID 61446871
3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid
CID 62329160
(2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-3-methylpentanamide
CID 102993086
(2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide
CID 63690931
(2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide
CID 61163539
(2S)-2-amino-N,3-dimethyl-N-pentan-2-ylpentanamide
CID 61173173

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide (CID 42314652) is (2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide is CCCN(CCC)C(=O)[C@@H](N)[C@@H](C)CC.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide?
The InChIKey is KPWFDPOFBLTZOD-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-8-14(9-6-2)12(15)11(13)10(4)7-3/h10-11H,5-9,13H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide?
(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide has a molecular weight of 214.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide is sourced from PubChem (CID 42314652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).