3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid

C14H26N2O3 — CID 81069707

IUPAC3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid
SMILESCCCN(CC1CC1)C(=O)NCC(CC)CC(=O)O
InChIInChI=1S/C14H26N2O3/c1-3-7-16(10-12-5-6-12)14(19)15-9-11(4-2)8-13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyXVTSEDFAROTFRS-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds9

About 3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid

3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid (PubChem CID 81069707) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid
PubChem CID81069707
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid
SMILESCCCN(CC1CC1)C(=O)NCC(CC)CC(=O)O
InChIInChI=1S/C14H26N2O3/c1-3-7-16(10-12-5-6-12)14(19)15-9-11(4-2)8-13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyXVTSEDFAROTFRS-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069382
2-[[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]acetyl]amino]acetic acid
CID 61443365
3-[[[cyclobutylmethyl(ethyl)carbamoyl]amino]methyl]-5-methylhexanoic acid
CID 107400095
3-[[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]methyl]pentanoic acid
CID 81069894
(2S)-4-[[cyclopropylmethyl(propyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838868
(2S)-4-amino-2-[[cyclopropylmethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63717362
2-[[butyl(cyclopropylmethyl)carbamoyl]amino]acetic acid
CID 141135639
3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069543
3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid
CID 81069336
2-[[cyclopropylmethyl(propyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61443321
3-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]pentanoic acid
CID 112735393
3-[[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]pentanoic acid
CID 81069933

Frequently Asked Questions

What is the IUPAC name of 3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid?
The IUPAC name of 3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid (CID 81069707) is 3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid is CCCN(CC1CC1)C(=O)NCC(CC)CC(=O)O.
What is the InChIKey of 3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid?
The InChIKey is XVTSEDFAROTFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-7-16(10-12-5-6-12)14(19)15-9-11(4-2)8-13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid?
3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 81069707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).