[(2R)-2,3-diamino-3-oxopropyl] (2R,3R)-2,3,4-trimethylpentanoate

C11H22N2O3 — CID 177053282

IUPAC[(2R)-2,3-diamino-3-oxopropyl] (2R,3R)-2,3,4-trimethylpentanoate
SMILESCC(C)[C@@H](C)[C@@H](C)C(=O)OC[C@@H](N)C(N)=O
InChIInChI=1S/C11H22N2O3/c1-6(2)7(3)8(4)11(15)16-5-9(12)10(13)14/h6-9H,5,12H2,1-4H3,(H2,13,14)/t7-,8-,9-/m1/s1
InChIKeyNHQIJSCSTDJFQN-IWSPIJDZSA-N
MW230.31 g/mol
LogP0.27
Rot. Bonds6

About [(2R)-2,3-diamino-3-oxopropyl] (2R,3R)-2,3,4-trimethylpentanoate

[(2R)-2,3-diamino-3-oxopropyl] (2R,3R)-2,3,4-trimethylpentanoate (PubChem CID 177053282) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is [(2R)-2,3-diamino-3-oxopropyl] (2R,3R)-2,3,4-trimethylpentanoate.

Molecular Properties

Compound Name[(2R)-2,3-diamino-3-oxopropyl] (2R,3R)-2,3,4-trimethylpentanoate
PubChem CID177053282
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name[(2R)-2,3-diamino-3-oxopropyl] (2R,3R)-2,3,4-trimethylpentanoate
SMILESCC(C)[C@@H](C)[C@@H](C)C(=O)OC[C@@H](N)C(N)=O
InChIInChI=1S/C11H22N2O3/c1-6(2)7(3)8(4)11(15)16-5-9(12)10(13)14/h6-9H,5,12H2,1-4H3,(H2,13,14)/t7-,8-,9-/m1/s1
InChIKeyNHQIJSCSTDJFQN-IWSPIJDZSA-N
XLogP0.27
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-diamino-3-oxopropyl) acetate
CID 130975644
(2S)-2-amino-3-propan-2-yloxypropanamide chloride
CID 162334283
3-methylbutyl 2,3,4-trimethylpentanoate
CID 118374858
2-amino-3-[3-(2-methoxyethoxy)propoxy]propanamide
CID 103400791
2-amino-3-(prop-1-en-2-ylamino)oxypropanamide
CID 57226667
3-carbamoyl-4,5-dimethylhexanoic acid
CID 145216564
2-aminobutanamide;hydrochloride
CID 14333659
2,3-dimethylbutanediamide
CID 55281411
2-amino-3-methylpentanamide;2,3-dimethylbutane
CID 22928550
2-amino-3,4-dimethylhexanamide
CID 131230677
(2S)-2-amino-4-methylpentanamide;ethane;molecular hydrogen
CID 145052897
(2R,3R)-2,3-dimethylpentanamide
CID 170847775

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-diamino-3-oxopropyl] (2R,3R)-2,3,4-trimethylpentanoate?
The IUPAC name of [(2R)-2,3-diamino-3-oxopropyl] (2R,3R)-2,3,4-trimethylpentanoate (CID 177053282) is [(2R)-2,3-diamino-3-oxopropyl] (2R,3R)-2,3,4-trimethylpentanoate.
What is the SMILES notation for [(2R)-2,3-diamino-3-oxopropyl] (2R,3R)-2,3,4-trimethylpentanoate?
The canonical SMILES for [(2R)-2,3-diamino-3-oxopropyl] (2R,3R)-2,3,4-trimethylpentanoate is CC(C)[C@@H](C)[C@@H](C)C(=O)OC[C@@H](N)C(N)=O.
What is the InChIKey of [(2R)-2,3-diamino-3-oxopropyl] (2R,3R)-2,3,4-trimethylpentanoate?
The InChIKey is NHQIJSCSTDJFQN-IWSPIJDZSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-6(2)7(3)8(4)11(15)16-5-9(12)10(13)14/h6-9H,5,12H2,1-4H3,(H2,13,14)/t7-,8-,9-/m1/s1.
What are the key properties of [(2R)-2,3-diamino-3-oxopropyl] (2R,3R)-2,3,4-trimethylpentanoate?
[(2R)-2,3-diamino-3-oxopropyl] (2R,3R)-2,3,4-trimethylpentanoate has a molecular weight of 230.31 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3-diamino-3-oxopropyl] (2R,3R)-2,3,4-trimethylpentanoate is sourced from PubChem (CID 177053282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).