2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid

C15H21N3O3 — CID 61408631

IUPAC2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid
SMILESCNCc1cccc(NC(=O)NC(C)(C(=O)O)C2CC2)c1
InChIInChI=1S/C15H21N3O3/c1-15(13(19)20,11-6-7-11)18-14(21)17-12-5-3-4-10(8-12)9-16-2/h3-5,8,11,16H,6-7,9H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyQICKTRGCCWCPKF-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.78
Rot. Bonds6

About 2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid

2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid (PubChem CID 61408631) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid
PubChem CID61408631
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid
SMILESCNCc1cccc(NC(=O)NC(C)(C(=O)O)C2CC2)c1
InChIInChI=1S/C15H21N3O3/c1-15(13(19)20,11-6-7-11)18-14(21)17-12-5-3-4-10(8-12)9-16-2/h3-5,8,11,16H,6-7,9H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyQICKTRGCCWCPKF-UHFFFAOYSA-N
XLogP1.78
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 115378476
2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid
CID 43163255
2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid
CID 61199203
2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide
CID 103021373
2-cyclopropyl-2-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]propanoic acid
CID 107576368
3-methyl-2-[[[3-(methylaminomethyl)phenyl]carbamoylamino]methyl]butanoic acid
CID 65223578
2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid
CID 61185585
2-cyclopropyl-2-[2-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 61201728
1-(3-cyanophenyl)-3-[3-(methylaminomethyl)phenyl]urea
CID 43602485
4-[[3-(methylaminomethyl)phenyl]carbamoylamino]butanoic acid
CID 61407882
2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid
CID 61184318
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111976294

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid (CID 61408631) is 2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid is CNCc1cccc(NC(=O)NC(C)(C(=O)O)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid?
The InChIKey is QICKTRGCCWCPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(13(19)20,11-6-7-11)18-14(21)17-12-5-3-4-10(8-12)9-16-2/h3-5,8,11,16H,6-7,9H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid?
2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 61408631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).