2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid

C15H29N3O3 — CID 61183248

IUPAC2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
SMILESCC(C)N(CCNC(=O)NC(C)(C(=O)O)C1CC1)C(C)C
InChIInChI=1S/C15H29N3O3/c1-10(2)18(11(3)4)9-8-16-14(21)17-15(5,13(19)20)12-6-7-12/h10-12H,6-9H2,1-5H3,(H,19,20)(H2,16,17,21)
InChIKeyGGURILUJYPRAQV-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.66
Rot. Bonds8

About 2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid

2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid (PubChem CID 61183248) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
PubChem CID61183248
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
SMILESCC(C)N(CCNC(=O)NC(C)(C(=O)O)C1CC1)C(C)C
InChIInChI=1S/C15H29N3O3/c1-10(2)18(11(3)4)9-8-16-14(21)17-15(5,13(19)20)12-6-7-12/h10-12H,6-9H2,1-5H3,(H,19,20)(H2,16,17,21)
InChIKeyGGURILUJYPRAQV-UHFFFAOYSA-N
XLogP1.66
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(3-methylbutylcarbamoylamino)propanoic acid
CID 16794049
2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid
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2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid
CID 103995660
2-cyclopropyl-2-(5,5,5-trifluoropentylcarbamoylamino)propanoic acid
CID 115521493
2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid
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2-(2-butoxyethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61482880
2-(2-cyclopentyloxyethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 63832113
2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103994420
2-cyclopropyl-2-(1-methylsulfonylpropan-2-ylcarbamoylamino)propanoic acid
CID 64643053
2-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
CID 62635858
2-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 16786947
1-(2-aminoethyl)-3-[2-[di(propan-2-yl)amino]ethyl]urea;2,2,2-trifluoroacetic acid
CID 87451578

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid (CID 61183248) is 2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid is CC(C)N(CCNC(=O)NC(C)(C(=O)O)C1CC1)C(C)C.
What is the InChIKey of 2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid?
The InChIKey is GGURILUJYPRAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-10(2)18(11(3)4)9-8-16-14(21)17-15(5,13(19)20)12-6-7-12/h10-12H,6-9H2,1-5H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid?
2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid has a molecular weight of 299.42 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 61183248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).