2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propanoic acid

C15H28N2O2 — CID 63909146

IUPAC2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propanoic acid
SMILESCCCNC(CN(C)C(C)C1CC1)(C(=O)O)C1CC1
InChIInChI=1S/C15H28N2O2/c1-4-9-16-15(14(18)19,13-7-8-13)10-17(3)11(2)12-5-6-12/h11-13,16H,4-10H2,1-3H3,(H,18,19)
InChIKeyXNXPKVRNAXKMCM-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.95
Rot. Bonds9

About 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propanoic acid

2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propanoic acid (PubChem CID 63909146) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propanoic acid
PubChem CID63909146
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propanoic acid
SMILESCCCNC(CN(C)C(C)C1CC1)(C(=O)O)C1CC1
InChIInChI=1S/C15H28N2O2/c1-4-9-16-15(14(18)19,13-7-8-13)10-17(3)11(2)12-5-6-12/h11-13,16H,4-10H2,1-3H3,(H,18,19)
InChIKeyXNXPKVRNAXKMCM-UHFFFAOYSA-N
XLogP1.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]-2-(propylamino)propanoic acid
CID 63922289
2-cyclopropyl-3-[1-methoxypropan-2-yl(methyl)amino]-2-(propylamino)propanoic acid
CID 63910353
2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propanoic acid
CID 81074286
2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propan-1-ol
CID 64796214
2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide
CID 63907693
2-cyclopropyl-3-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)propanoic acid
CID 82959915
3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanoic acid
CID 63916296
ethyl 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)propanoate
CID 63909341
2-cyclopropyl-3-(N,4-dimethylanilino)-2-(propylamino)propanoic acid
CID 63927007
2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid
CID 63909168
2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid
CID 64521042
ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propanoate
CID 63911314

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propanoic acid (CID 63909146) is 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propanoic acid is CCCNC(CN(C)C(C)C1CC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propanoic acid?
The InChIKey is XNXPKVRNAXKMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-9-16-15(14(18)19,13-7-8-13)10-17(3)11(2)12-5-6-12/h11-13,16H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propanoic acid?
2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propanoic acid has a molecular weight of 268.40 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propanoic acid is sourced from PubChem (CID 63909146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).