2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid

C11H14N4O3 — CID 61185585

IUPAC2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)Nc1ncccn1)(C(=O)O)C1CC1
InChIInChI=1S/C11H14N4O3/c1-11(8(16)17,7-3-4-7)15-10(18)14-9-12-5-2-6-13-9/h2,5-7H,3-4H2,1H3,(H,16,17)(H2,12,13,14,15,18)
InChIKeyREKNRAAAOUCPRW-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.85
Rot. Bonds4

About 2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid

2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid (PubChem CID 61185585) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid
PubChem CID61185585
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)Nc1ncccn1)(C(=O)O)C1CC1
InChIInChI=1S/C11H14N4O3/c1-11(8(16)17,7-3-4-7)15-10(18)14-9-12-5-2-6-13-9/h2,5-7H,3-4H2,1H3,(H,16,17)(H2,12,13,14,15,18)
InChIKeyREKNRAAAOUCPRW-UHFFFAOYSA-N
XLogP0.85
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[(2-iodophenyl)carbamoylamino]propanoic acid
CID 61184318
2-cyclopropyl-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoic acid
CID 61186056
2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 106760398
2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 115378476
2-[(3-chloro-2-methylphenyl)carbamoylamino]-2-cyclopropylpropanoic acid
CID 61181557
2-cyclopropyl-2-[(3,4-dichlorophenyl)carbamoylamino]propanoic acid
CID 43163255
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-pyrimidin-2-ylurea
CID 658898
2-cyclopropyl-2-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]propanoic acid
CID 107576368
2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic acid
CID 107516988
2-cyclopropyl-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]propanoic acid
CID 103586744
2-cyclopropyl-2-[[3-(methylaminomethyl)phenyl]carbamoylamino]propanoic acid
CID 61408631
2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43360373

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid (CID 61185585) is 2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid is CC(NC(=O)Nc1ncccn1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid?
The InChIKey is REKNRAAAOUCPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-11(8(16)17,7-3-4-7)15-10(18)14-9-12-5-2-6-13-9/h2,5-7H,3-4H2,1H3,(H,16,17)(H2,12,13,14,15,18).
What are the key properties of 2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid?
2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid has a molecular weight of 250.26 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 61185585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).