2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid

C14H27N3O2 — CID 63927035

IUPAC2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid
SMILESCCNC(CN1CCC(N(C)C)C1)(C(=O)O)C1CC1
InChIInChI=1S/C14H27N3O2/c1-4-15-14(13(18)19,11-5-6-11)10-17-8-7-12(9-17)16(2)3/h11-12,15H,4-10H2,1-3H3,(H,18,19)
InChIKeyBYCHCDLDMPJNAT-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.47
Rot. Bonds7

About 2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid

2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid (PubChem CID 63927035) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid
PubChem CID63927035
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid
SMILESCCNC(CN1CCC(N(C)C)C1)(C(=O)O)C1CC1
InChIInChI=1S/C14H27N3O2/c1-4-15-14(13(18)19,11-5-6-11)10-17-8-7-12(9-17)16(2)3/h11-12,15H,4-10H2,1-3H3,(H,18,19)
InChIKeyBYCHCDLDMPJNAT-UHFFFAOYSA-N
XLogP0.47
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid
CID 63910516
2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid
CID 63905754
2-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)-2-(ethylamino)propanoic acid
CID 63905545
2-cyclopropyl-2-(ethylamino)-3-(4-methylazepan-1-yl)propanoic acid
CID 63927458
2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)propanoic acid
CID 103538194
2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid
CID 63927044
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanoic acid
CID 63165425
6-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylhexanoic acid
CID 63165554
2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid
CID 63907207
3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid
CID 63165732
2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propanamide
CID 81475312
2-amino-2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-ol
CID 64791303

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid (CID 63927035) is 2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid is CCNC(CN1CCC(N(C)C)C1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid?
The InChIKey is BYCHCDLDMPJNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-15-14(13(18)19,11-5-6-11)10-17-8-7-12(9-17)16(2)3/h11-12,15H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid?
2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid has a molecular weight of 269.39 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid is sourced from PubChem (CID 63927035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).