2-cyclopropyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetic acid

C16H22N2O3 — CID 62694882

IUPAC2-cyclopropyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetic acid
SMILESCc1ccccc1CN(C)C(=O)CNC(C(=O)O)C1CC1
InChIInChI=1S/C16H22N2O3/c1-11-5-3-4-6-13(11)10-18(2)14(19)9-17-15(16(20)21)12-7-8-12/h3-6,12,15,17H,7-10H2,1-2H3,(H,20,21)
InChIKeyFPPHYZUCQSONEK-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.41
Rot. Bonds7

About 2-cyclopropyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetic acid

2-cyclopropyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetic acid (PubChem CID 62694882) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetic acid
PubChem CID62694882
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-cyclopropyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetic acid
SMILESCc1ccccc1CN(C)C(=O)CNC(C(=O)O)C1CC1
InChIInChI=1S/C16H22N2O3/c1-11-5-3-4-6-13(11)10-18(2)14(19)9-17-15(16(20)21)12-7-8-12/h3-6,12,15,17H,7-10H2,1-2H3,(H,20,21)
InChIKeyFPPHYZUCQSONEK-UHFFFAOYSA-N
XLogP1.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[2-(2-methylphenyl)ethylamino]acetic acid
CID 103256389
2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695230
3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231590
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161
N-methyl-N-[(2-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119681688
2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid
CID 43466993
N-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62557701
3-methyl-2-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]sulfanylbutanoic acid
CID 105354282
2-[[2-(2-acetylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695043
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 43578823
1,3-dimethyl-1-[(2-methylphenyl)methyl]urea
CID 23563161
2-cyclopropyl-2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetic acid
CID 62695631

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetic acid (CID 62694882) is 2-cyclopropyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetic acid is Cc1ccccc1CN(C)C(=O)CNC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is FPPHYZUCQSONEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-5-3-4-6-13(11)10-18(2)14(19)9-17-15(16(20)21)12-7-8-12/h3-6,12,15,17H,7-10H2,1-2H3,(H,20,21).
What are the key properties of 2-cyclopropyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetic acid?
2-cyclopropyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 62694882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).