(4-chlorophenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate

C11H13ClN2O3 — CID 107437060

IUPAC(4-chlorophenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate
SMILESNC(=O)CNCC(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O3/c12-9-3-1-8(2-4-9)7-17-11(16)6-14-5-10(13)15/h1-4,14H,5-7H2,(H2,13,15)
InChIKeyKOGXUXZODLUTEO-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.46
Rot. Bonds6

About (4-chlorophenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate

(4-chlorophenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate (PubChem CID 107437060) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate
PubChem CID107437060
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name(4-chlorophenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate
SMILESNC(=O)CNCC(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O3/c12-9-3-1-8(2-4-9)7-17-11(16)6-14-5-10(13)15/h1-4,14H,5-7H2,(H2,13,15)
InChIKeyKOGXUXZODLUTEO-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)methyl 2-(2-methylpropylamino)acetate
CID 65127392
(4-chlorophenyl)methyl 2-anilinoacetate
CID 65127190
2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetic acid
CID 146503139
(4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate
CID 8662028
(3-methoxyphenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate
CID 107436906
(4-chlorophenyl)methyl 2-(4-aminophenyl)acetate
CID 61323404
(4-chlorophenyl)methyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8608684
bis[(4-chlorophenyl)methyl] but-2-enedioate
CID 54391638
ethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate
CID 23033394
(4-chlorophenyl)methyl 3-methylpentanoate
CID 102077326
(4-chlorophenyl)methyl 16-sulfanylhexadecanoate
CID 102034524
(4-bromophenyl)methyl 2-(3-chloroanilino)acetate
CID 82824756

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate?
The IUPAC name of (4-chlorophenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate (CID 107437060) is (4-chlorophenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate?
The canonical SMILES for (4-chlorophenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate is NC(=O)CNCC(=O)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate?
The InChIKey is KOGXUXZODLUTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c12-9-3-1-8(2-4-9)7-17-11(16)6-14-5-10(13)15/h1-4,14H,5-7H2,(H2,13,15).
What are the key properties of (4-chlorophenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate?
(4-chlorophenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate has a molecular weight of 256.69 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate is sourced from PubChem (CID 107437060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).