3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid

C13H24N2O3 — CID 81069543

IUPAC3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)N(C)C(C)C1CC1)CC(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-10(7-12(16)17)8-14-13(18)15(3)9(2)11-5-6-11/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyPLIDGVIPFHJXBE-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.93
Rot. Bonds7

About 3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid

3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid (PubChem CID 81069543) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
PubChem CID81069543
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)N(C)C(C)C1CC1)CC(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-10(7-12(16)17)8-14-13(18)15(3)9(2)11-5-6-11/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyPLIDGVIPFHJXBE-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069076
1-(1-cyclopropylethyl)-1-methyl-3-propylurea
CID 115577776
3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid
CID 81069336
3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069382
3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069707
3-[[2-(dimethylamino)propylcarbamoylamino]methyl]pentanoic acid
CID 81069957
3-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069215
3-[[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]methyl]pentanoic acid
CID 81069894
3-[[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]methyl]pentanoic acid
CID 81071790
3-[[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 81068551
(2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838520
3-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]pentanoic acid
CID 81072974

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid?
The IUPAC name of 3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid (CID 81069543) is 3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid is CCC(CNC(=O)N(C)C(C)C1CC1)CC(=O)O.
What is the InChIKey of 3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid?
The InChIKey is PLIDGVIPFHJXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-10(7-12(16)17)8-14-13(18)15(3)9(2)11-5-6-11/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid?
3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 81069543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).