benzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate

C13H18N2O3 — CID 22876656

IUPACbenzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate
SMILESC[C@H](CNC(=O)CN)C(=O)OCc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-10(8-15-12(16)7-14)13(17)18-9-11-5-3-2-4-6-11/h2-6,10H,7-9,14H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyDMEXKRSMPBNEEI-SNVBAGLBSA-N
MW250.30 g/mol
LogP0.44
Rot. Bonds6

About benzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate

benzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate (PubChem CID 22876656) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is benzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namebenzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate
PubChem CID22876656
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namebenzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate
SMILESC[C@H](CNC(=O)CN)C(=O)OCc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-10(8-15-12(16)7-14)13(17)18-9-11-5-3-2-4-6-11/h2-6,10H,7-9,14H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyDMEXKRSMPBNEEI-SNVBAGLBSA-N
XLogP0.44
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2R)-2-methyl-3-(methylamino)propanoate
CID 131170402
benzyl 2-[[(2-aminoacetyl)amino]methoxy]propanoate
CID 166510527
benzyl 2-methyl-3-(sulfamoylamino)propanoate
CID 174669521
benzyl 3-(2,2-difluoroethylamino)-2-methylpropanoate
CID 106484104
benzyl (2R)-3-hydroxy-2-methylpropanoate
CID 102381310
(2S)-4-methyl-2-[(2-methyl-3-oxo-3-phenylmethoxypropyl)amino]pentanoic acid
CID 18661239
benzyl 2-methyl-3-(prop-2-ynylamino)propanoate
CID 106483863
benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate
CID 106484144
benzyl 3-(butylamino)-2-methylpropanoate
CID 106483881
benzyl 3-[1-(furan-2-yl)ethylamino]-2-methylpropanoate
CID 106483934
benzyl (2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
CID 70603822
benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate
CID 10236470

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate?
The IUPAC name of benzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate (CID 22876656) is benzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate.
What is the SMILES notation for benzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate?
The canonical SMILES for benzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate is C[C@H](CNC(=O)CN)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate?
The InChIKey is DMEXKRSMPBNEEI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(8-15-12(16)7-14)13(17)18-9-11-5-3-2-4-6-11/h2-6,10H,7-9,14H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of benzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate?
benzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate has a molecular weight of 250.30 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate is sourced from PubChem (CID 22876656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).