3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid

C16H22N2O3 — CID 119911689

IUPAC3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid
SMILESCN(CCC(=O)O)CC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c1-18(10-7-15(20)21)11-14(19)17-12-16(8-9-16)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,17,19)(H,20,21)
InChIKeyLNYWZMCAMKCFQD-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.24
Rot. Bonds8

About 3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid

3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid (PubChem CID 119911689) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid
PubChem CID119911689
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid
SMILESCN(CCC(=O)O)CC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c1-18(10-7-15(20)21)11-14(19)17-12-16(8-9-16)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,17,19)(H,20,21)
InChIKeyLNYWZMCAMKCFQD-UHFFFAOYSA-N
XLogP1.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 34557487
2-[2-cyanopropyl(methyl)amino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 47545886
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 109398057
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid
CID 122120195
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
N-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide
CID 87034810
2-(dimethylamino)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide
CID 110479728
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
ethyl 3-oxo-3-[(1-phenylcyclopropyl)methylamino]propanoate
CID 110474208
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56818310

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid (CID 119911689) is 3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid is CN(CCC(=O)O)CC(=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of 3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid?
The InChIKey is LNYWZMCAMKCFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18(10-7-15(20)21)11-14(19)17-12-16(8-9-16)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid?
3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid is sourced from PubChem (CID 119911689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).