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

C15H21N3O3 — CID 115378476

IUPAC2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid
SMILESCN(C)c1cccc(NC(=O)NC(C)(C(=O)O)C2CC2)c1
InChIInChI=1S/C15H21N3O3/c1-15(13(19)20,10-7-8-10)17-14(21)16-11-5-4-6-12(9-11)18(2)3/h4-6,9-10H,7-8H2,1-3H3,(H,19,20)(H2,16,17,21)
InChIKeyXMQKIURALBNZLR-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.13
Rot. Bonds5

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

2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid (PubChem CID 115378476) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid
PubChem CID115378476
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid
SMILESCN(C)c1cccc(NC(=O)NC(C)(C(=O)O)C2CC2)c1
InChIInChI=1S/C15H21N3O3/c1-15(13(19)20,10-7-8-10)17-14(21)16-11-5-4-6-12(9-11)18(2)3/h4-6,9-10H,7-8H2,1-3H3,(H,19,20)(H2,16,17,21)
InChIKeyXMQKIURALBNZLR-UHFFFAOYSA-N
XLogP2.13
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid
CID 61408631
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CID 43163255
2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61193605
2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 106760398
3-[[3-(dimethylamino)phenyl]carbamoylamino]-2,2-dimethylpropanoic acid
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CID 91129511
2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid
CID 61199203
N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
CID 108884172
2-cyclopropyl-2-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]propanoic acid
CID 107576368
2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid
CID 61185585
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CID 61184318

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid (CID 115378476) is 2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid is CN(C)c1cccc(NC(=O)NC(C)(C(=O)O)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid?
The InChIKey is XMQKIURALBNZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(13(19)20,10-7-8-10)17-14(21)16-11-5-4-6-12(9-11)18(2)3/h4-6,9-10H,7-8H2,1-3H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid?
2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 115378476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).