tert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate

C14H20N2O3 — CID 81463312

IUPACtert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate
SMILESCC(C)(C)OC(=O)CNCc1cccc(C(N)=O)c1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-12(17)9-16-8-10-5-4-6-11(7-10)13(15)18/h4-7,16H,8-9H2,1-3H3,(H2,15,18)
InChIKeyUMHCWKNOXJCPII-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.22
Rot. Bonds5

About tert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate

tert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate (PubChem CID 81463312) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate
PubChem CID81463312
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate
SMILESCC(C)(C)OC(=O)CNCc1cccc(C(N)=O)c1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-12(17)9-16-8-10-5-4-6-11(7-10)13(15)18/h4-7,16H,8-9H2,1-3H3,(H2,15,18)
InChIKeyUMHCWKNOXJCPII-UHFFFAOYSA-N
XLogP1.22
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[(3-carbamoylphenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 103740263
tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate
CID 18698419
tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
CID 137389832
tert-butyl 3-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]propanoate
CID 89023446
3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide
CID 43566996
3-[[2-(tert-butylamino)ethylamino]methyl]benzamide
CID 107444865
3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]benzamide
CID 112688808
tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate
CID 141438103
3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide
CID 61220189
tert-butyl 2-[(3-carbamoylphenyl)methylamino]hexanoate
CID 75478270
tert-butyl 2-[(3-chloro-4-methylphenyl)methylamino]acetate
CID 106817005
tert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate
CID 62313916

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate?
The IUPAC name of tert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate (CID 81463312) is tert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate?
The canonical SMILES for tert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate is CC(C)(C)OC(=O)CNCc1cccc(C(N)=O)c1.
What is the InChIKey of tert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate?
The InChIKey is UMHCWKNOXJCPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)19-12(17)9-16-8-10-5-4-6-11(7-10)13(15)18/h4-7,16H,8-9H2,1-3H3,(H2,15,18).
What are the key properties of tert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate?
tert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate has a molecular weight of 264.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate is sourced from PubChem (CID 81463312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).