(2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide

C12H25N3O2 — CID 113353361

IUPAC(2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
SMILESCC(C)NC(=O)CN(C)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-8(2)14-9(16)7-15(6)11(17)10(13)12(3,4)5/h8,10H,7,13H2,1-6H3,(H,14,16)/t10-/m0/s1
InChIKeyAOMBNTCFJRQMNR-JTQLQIEISA-N
MW243.35 g/mol
LogP0.34
Rot. Bonds4

About (2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide

(2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide (PubChem CID 113353361) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
PubChem CID113353361
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name(2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
SMILESCC(C)NC(=O)CN(C)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-8(2)14-9(16)7-15(6)11(17)10(13)12(3,4)5/h8,10H,7,13H2,1-6H3,(H,14,16)/t10-/m0/s1
InChIKeyAOMBNTCFJRQMNR-JTQLQIEISA-N
XLogP0.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 60937489
(2S)-2-amino-N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61165022
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 76893534
ethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane
CID 143023750
2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 81082656
3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 64685273
2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 114328087
(2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide
CID 61154665
2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 60661823
(2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 119683115
(2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide
CID 104869216
3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 63679818

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide?
The IUPAC name of (2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide (CID 113353361) is (2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide.
What is the SMILES notation for (2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide?
The canonical SMILES for (2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide is CC(C)NC(=O)CN(C)C(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide?
The InChIKey is AOMBNTCFJRQMNR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H25N3O2/c1-8(2)14-9(16)7-15(6)11(17)10(13)12(3,4)5/h8,10H,7,13H2,1-6H3,(H,14,16)/t10-/m0/s1.
What are the key properties of (2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide?
(2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide has a molecular weight of 243.35 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide is sourced from PubChem (CID 113353361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).