(2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate

C8H16N2O3 — CID 159439420

IUPAC(2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)OCC(N)=O
InChIInChI=1S/C8H16N2O3/c1-5(2)3-6(9)8(12)13-4-7(10)11/h5-6H,3-4,9H2,1-2H3,(H2,10,11)/t6-/m0/s1
InChIKeyBCKIARDZRJAMJU-LURJTMIESA-N
MW188.23 g/mol
LogP-0.61
Rot. Bonds5

About (2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate

(2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate (PubChem CID 159439420) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate
PubChem CID159439420
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)OCC(N)=O
InChIInChI=1S/C8H16N2O3/c1-5(2)3-6(9)8(12)13-4-7(10)11/h5-6H,3-4,9H2,1-2H3,(H2,10,11)/t6-/m0/s1
InChIKeyBCKIARDZRJAMJU-LURJTMIESA-N
XLogP-0.61
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 11658447
4-methylpentan-2-yl 2-amino-4-methylpentanoate
CID 61277406
[(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate
CID 90745956
4-methylpentyl 2-amino-4-methylpentanoate
CID 61304078
(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326
CID 164753988
CID 164753988
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
(2S)-2-amino-4-methylpentanamide;ethane;molecular hydrogen
CID 145052897
[(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate
CID 139407331
heptadecyl (2S)-2-amino-4-methylpentanoate
CID 54540709
2-methylpentyl (2R)-2-amino-4-methylpentanoate
CID 103284088
2-propoxyethyl 2-amino-4-methylpentanoate
CID 63685602

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate?
The IUPAC name of (2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate (CID 159439420) is (2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate?
The canonical SMILES for (2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate is CC(C)C[C@H](N)C(=O)OCC(N)=O.
What is the InChIKey of (2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate?
The InChIKey is BCKIARDZRJAMJU-LURJTMIESA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(2)3-6(9)8(12)13-4-7(10)11/h5-6H,3-4,9H2,1-2H3,(H2,10,11)/t6-/m0/s1.
What are the key properties of (2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate?
(2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate has a molecular weight of 188.23 g/mol, XLogP of -0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate is sourced from PubChem (CID 159439420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).