3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid

C13H24N2O2 — CID 64521842

IUPAC3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid
SMILESCCCNC(CN(CC1CC1)C1CC1)C(=O)O
InChIInChI=1S/C13H24N2O2/c1-2-7-14-12(13(16)17)9-15(11-5-6-11)8-10-3-4-10/h10-12,14H,2-9H2,1H3,(H,16,17)
InChIKeyOOWFHTGMDONHGR-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.31
Rot. Bonds9

About 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid

3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid (PubChem CID 64521842) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid
PubChem CID64521842
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid
SMILESCCCNC(CN(CC1CC1)C1CC1)C(=O)O
InChIInChI=1S/C13H24N2O2/c1-2-7-14-12(13(16)17)9-15(11-5-6-11)8-10-3-4-10/h10-12,14H,2-9H2,1H3,(H,16,17)
InChIKeyOOWFHTGMDONHGR-UHFFFAOYSA-N
XLogP1.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoate
CID 64522428
3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid
CID 62861378
4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)butanamide
CID 64521638
4-[cyclopropylmethyl(propan-2-yl)amino]-2-(propylamino)butanoic acid
CID 63053259
(2S)-3-cyclohexyl-2-(propylamino)propanoic acid
CID 175818712
3-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)propanoic acid
CID 63711612
2-acetamido-3-[cyclopropyl(propyl)amino]propanoic acid
CID 64581319
(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]pentanoic acid
CID 107567101
3-(2-cyclopropylethoxy)-2-(propylamino)propanoic acid
CID 106204336
3-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropanethioamide
CID 64521353
2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid
CID 64521042
3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid
CID 82327511

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid?
The IUPAC name of 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid (CID 64521842) is 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid?
The canonical SMILES for 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid is CCCNC(CN(CC1CC1)C1CC1)C(=O)O.
What is the InChIKey of 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid?
The InChIKey is OOWFHTGMDONHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-7-14-12(13(16)17)9-15(11-5-6-11)8-10-3-4-10/h10-12,14H,2-9H2,1H3,(H,16,17).
What are the key properties of 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid?
3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid has a molecular weight of 240.35 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid is sourced from PubChem (CID 64521842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).