(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide

C12H25N3O2 — CID 103929250

IUPAC(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide
SMILESCCCCN(CC(N)=O)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-5-6-7-15(8-9(13)16)11(17)10(14)12(2,3)4/h10H,5-8,14H2,1-4H3,(H2,13,16)/t10-/m0/s1
InChIKeyQPRBGQGMZMXSBJ-JTQLQIEISA-N
MW243.35 g/mol
LogP0.47
Rot. Bonds6

About (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide

(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide (PubChem CID 103929250) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide
PubChem CID103929250
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide
SMILESCCCCN(CC(N)=O)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-5-6-7-15(8-9(13)16)11(17)10(14)12(2,3)4/h10H,5-8,14H2,1-4H3,(H2,13,16)/t10-/m0/s1
InChIKeyQPRBGQGMZMXSBJ-JTQLQIEISA-N
XLogP0.47
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide
CID 76977906
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide
CID 79013579
2-amino-N-(2-amino-2-oxoethyl)-N-butylbutanamide
CID 60946996
(2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
CID 104861744
(2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide
CID 61163638
2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide
CID 60946442
(2R)-2-amino-N-ethyl-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 103929214
(2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164894
4-[(2-amino-2-oxoethyl)-butylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 60948274
(2S)-2-amino-N,N-dibutyl-3-methylbutanamide
CID 28983163
2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid
CID 107437530
2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide
CID 112555851

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide (CID 103929250) is (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide is CCCCN(CC(N)=O)C(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide?
The InChIKey is QPRBGQGMZMXSBJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-6-7-15(8-9(13)16)11(17)10(14)12(2,3)4/h10H,5-8,14H2,1-4H3,(H2,13,16)/t10-/m0/s1.
What are the key properties of (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide?
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide has a molecular weight of 243.35 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide is sourced from PubChem (CID 103929250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).