methyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate

C16H24N2O3 — CID 60946952

IUPACmethyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccccc1)C(=O)CCNC(C)C
InChIInChI=1S/C16H24N2O3/c1-13(2)17-10-9-15(19)18(12-16(20)21-3)11-14-7-5-4-6-8-14/h4-8,13,17H,9-12H2,1-3H3
InChIKeyIROKUPYDYUOBPE-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.58
Rot. Bonds8

About methyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate

methyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate (PubChem CID 60946952) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate
PubChem CID60946952
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccccc1)C(=O)CCNC(C)C
InChIInChI=1S/C16H24N2O3/c1-13(2)17-10-9-15(19)18(12-16(20)21-3)11-14-7-5-4-6-8-14/h4-8,13,17H,9-12H2,1-3H3
InChIKeyIROKUPYDYUOBPE-UHFFFAOYSA-N
XLogP1.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide
CID 60854868
methyl 2-[benzyl-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]acetate
CID 55993616
methyl 2-[(3-amino-3-methylbutanoyl)-benzylamino]acetate
CID 64676721
methyl 2-[benzyl-(2-methyl-4-oxopentanoyl)amino]acetate
CID 11975463
N-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide
CID 109013097
methyl 2-[[(2S)-2-amino-3-methylbutanoyl]-benzylamino]acetate
CID 61163965
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60963762
methyl 2-[benzyl-[2-(4-chlorophenyl)sulfanylpropanoyl]amino]acetate
CID 55817074
methyl 2-[(4-chlorophenyl)methyl-[3-(phenylcarbamoylamino)propanoyl]amino]acetate
CID 55803002
ethyl 2-[benzyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetate
CID 113227718
N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide
CID 54925398
methyl 2-[2-aminobutanoyl(benzyl)amino]acetate
CID 54872543

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate?
The IUPAC name of methyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate (CID 60946952) is methyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate?
The canonical SMILES for methyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate is COC(=O)CN(Cc1ccccc1)C(=O)CCNC(C)C.
What is the InChIKey of methyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate?
The InChIKey is IROKUPYDYUOBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13(2)17-10-9-15(19)18(12-16(20)21-3)11-14-7-5-4-6-8-14/h4-8,13,17H,9-12H2,1-3H3.
What are the key properties of methyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate?
methyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate has a molecular weight of 292.38 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate is sourced from PubChem (CID 60946952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).