methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate

C10H20N2O3 — CID 104903114

IUPACmethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)5-8(11)10(14)12(3)6-9(13)15-4/h7-8H,5-6,11H2,1-4H3/t8-/m1/s1
InChIKeyBCTMVSWUOFAXJA-MRVPVSSYSA-N
MW216.28 g/mol
LogP-0.01
Rot. Bonds5

About methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate

methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate (PubChem CID 104903114) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate
PubChem CID104903114
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)5-8(11)10(14)12(3)6-9(13)15-4/h7-8H,5-6,11H2,1-4H3/t8-/m1/s1
InChIKeyBCTMVSWUOFAXJA-MRVPVSSYSA-N
XLogP-0.01
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61165022
methyl 4-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]butanoate
CID 93371964
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide
CID 61154178
3-amino-4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoic acid
CID 64895138
(2R)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide
CID 104902620
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride
CID 119687384
(2S)-2-amino-N-(2-methoxyethyl)-N,4-dimethylpentanamide
CID 61159296
(2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide
CID 61163445
(2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide
CID 61164738
methyl 2-[[(2S)-2-amino-4-methylpentanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 175356927
(2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide
CID 104904051
2-amino-N,4-dimethylpentanehydrazide
CID 116848873

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate (CID 104903114) is methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate is COC(=O)CN(C)C(=O)[C@H](N)CC(C)C.
What is the InChIKey of methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate?
The InChIKey is BCTMVSWUOFAXJA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)5-8(11)10(14)12(3)6-9(13)15-4/h7-8H,5-6,11H2,1-4H3/t8-/m1/s1.
What are the key properties of methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate?
methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate has a molecular weight of 216.28 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate is sourced from PubChem (CID 104903114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).