(2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,N,3-trimethylbutanamide

C14H29N3O2 — CID 166777631

IUPAC(2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,N,3-trimethylbutanamide
SMILESCC(C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(=O)N(C)C
InChIInChI=1S/C14H29N3O2/c1-9(2)11(14(19)17(7)8)15-13(18)12(10(3)4)16(5)6/h9-12H,1-8H3,(H,15,18)/t11-,12+/m0/s1
InChIKeyWXCJJJPXTRPCEP-NWDGAFQWSA-N
MW271.40 g/mol
LogP0.80
Rot. Bonds6

About (2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,N,3-trimethylbutanamide

(2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,N,3-trimethylbutanamide (PubChem CID 166777631) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is (2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,N,3-trimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,N,3-trimethylbutanamide
PubChem CID166777631
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name(2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,N,3-trimethylbutanamide
SMILESCC(C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(=O)N(C)C
InChIInChI=1S/C14H29N3O2/c1-9(2)11(14(19)17(7)8)15-13(18)12(10(3)4)16(5)6/h9-12H,1-8H3,(H,15,18)/t11-,12+/m0/s1
InChIKeyWXCJJJPXTRPCEP-NWDGAFQWSA-N
XLogP0.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-3-methyl-N-sulfanylbutanamide
CID 166115605
2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,3-dimethylbutanamide;bis(2,2,2-trifluoroacetic acid)
CID 175893820
(3R,4S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-6-methylheptanoic acid
CID 10622506
2-(dimethylamino)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]butanamide
CID 118423165
(3R,4S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxyheptanoic acid
CID 10788015
[(2R)-3-methyl-2-(methyldisulfanyl)butyl] N-[(2S)-1-[[(2S)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
CID 168894714
(2S)-N-[(2R)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-2-isothiocyanato-3,3-dimethylbutanamide
CID 87590150
(3R,4S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanamide
CID 146429033
(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-N-ethyl-3-methoxy-5-methylheptanamide
CID 147189500
(2R)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 119363456
2-(dimethylamino)-N-heptan-2-yl-3-methylbutanamide
CID 71878401
(2S)-2-(dimethylamino)-N-[(2R)-heptan-2-yl]-3-methylbutanamide
CID 97027520

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,N,3-trimethylbutanamide?
The IUPAC name of (2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,N,3-trimethylbutanamide (CID 166777631) is (2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,N,3-trimethylbutanamide.
What is the SMILES notation for (2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,N,3-trimethylbutanamide?
The canonical SMILES for (2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,N,3-trimethylbutanamide is CC(C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(=O)N(C)C.
What is the InChIKey of (2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,N,3-trimethylbutanamide?
The InChIKey is WXCJJJPXTRPCEP-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-9(2)11(14(19)17(7)8)15-13(18)12(10(3)4)16(5)6/h9-12H,1-8H3,(H,15,18)/t11-,12+/m0/s1.
What are the key properties of (2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,N,3-trimethylbutanamide?
(2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,N,3-trimethylbutanamide has a molecular weight of 271.40 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,N,3-trimethylbutanamide is sourced from PubChem (CID 166777631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).