2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid

C13H23N3O4 — CID 103995660

IUPAC2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid
SMILESCC(C)NC(=O)CCNC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C13H23N3O4/c1-8(2)15-10(17)6-7-14-12(20)16-13(3,11(18)19)9-4-5-9/h8-9H,4-7H2,1-3H3,(H,15,17)(H,18,19)(H2,14,16,20)
InChIKeyVOZBNYULYSVNGS-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.45
Rot. Bonds7

About 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid

2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid (PubChem CID 103995660) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid
PubChem CID103995660
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid
SMILESCC(C)NC(=O)CCNC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C13H23N3O4/c1-8(2)15-10(17)6-7-14-12(20)16-13(3,11(18)19)9-4-5-9/h8-9H,4-7H2,1-3H3,(H,15,17)(H,18,19)(H2,14,16,20)
InChIKeyVOZBNYULYSVNGS-UHFFFAOYSA-N
XLogP0.45
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(3-methylbutylcarbamoylamino)propanoic acid
CID 16794049
2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103994420
2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61402734
2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
CID 61183248
2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid
CID 43172564
2-(2-cyclopentyloxyethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 63832113
2-cyclopropyl-2-(5,5,5-trifluoropentylcarbamoylamino)propanoic acid
CID 115521493
2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid
CID 61161568
2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid
CID 24708312
2-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 16786947
2-(2-butoxyethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61482880
2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid
CID 65159046

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid (CID 103995660) is 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid is CC(C)NC(=O)CCNC(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid?
The InChIKey is VOZBNYULYSVNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-8(2)15-10(17)6-7-14-12(20)16-13(3,11(18)19)9-4-5-9/h8-9H,4-7H2,1-3H3,(H,15,17)(H,18,19)(H2,14,16,20).
What are the key properties of 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid?
2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.45, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 103995660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).