2-(dicyclopropylmethylcarbamoylamino)propanoic acid

C11H18N2O3 — CID 61480782

IUPAC2-(dicyclopropylmethylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)NC(C1CC1)C1CC1)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-6(10(14)15)12-11(16)13-9(7-2-3-7)8-4-5-8/h6-9H,2-5H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyJAWODQHFIUHCTC-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.95
Rot. Bonds5

About 2-(dicyclopropylmethylcarbamoylamino)propanoic acid

2-(dicyclopropylmethylcarbamoylamino)propanoic acid (PubChem CID 61480782) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(dicyclopropylmethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-(dicyclopropylmethylcarbamoylamino)propanoic acid
PubChem CID61480782
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(dicyclopropylmethylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)NC(C1CC1)C1CC1)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-6(10(14)15)12-11(16)13-9(7-2-3-7)8-4-5-8/h6-9H,2-5H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyJAWODQHFIUHCTC-UHFFFAOYSA-N
XLogP0.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
2-(2-cyclopropylpropanoylamino)propanoic acid
CID 81456146
2-(dicyclopropylmethylcarbamoylamino)hexanoic acid
CID 61480513
2-(thiane-4-carbonylamino)propanoic acid
CID 119348546
(2R)-2-(dicyclopropylmethylcarbamoylamino)hexanedioic acid
CID 107839000
1-(dicyclopropylmethyl)-3-(3-hydroxybutyl)urea
CID 111337114
2-(dicyclopropylmethylcarbamoylamino)-2-ethylbutanoic acid
CID 79804151
2-[1-(1-adamantyl)ethylcarbamoylamino]propanoic acid
CID 61182192
1-(dicyclopropylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618467
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
(2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
CID 78972526
2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
CID 23221767

Frequently Asked Questions

What is the IUPAC name of 2-(dicyclopropylmethylcarbamoylamino)propanoic acid?
The IUPAC name of 2-(dicyclopropylmethylcarbamoylamino)propanoic acid (CID 61480782) is 2-(dicyclopropylmethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-(dicyclopropylmethylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-(dicyclopropylmethylcarbamoylamino)propanoic acid is CC(NC(=O)NC(C1CC1)C1CC1)C(=O)O.
What is the InChIKey of 2-(dicyclopropylmethylcarbamoylamino)propanoic acid?
The InChIKey is JAWODQHFIUHCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-6(10(14)15)12-11(16)13-9(7-2-3-7)8-4-5-8/h6-9H,2-5H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-(dicyclopropylmethylcarbamoylamino)propanoic acid?
2-(dicyclopropylmethylcarbamoylamino)propanoic acid has a molecular weight of 226.28 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyclopropylmethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 61480782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).