2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid

C14H27N3O2 — CID 79315091

IUPAC2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
SMILESCCN1CCCC1CN(C)CC(NC1CC1)C(=O)O
InChIInChI=1S/C14H27N3O2/c1-3-17-8-4-5-12(17)9-16(2)10-13(14(18)19)15-11-6-7-11/h11-13,15H,3-10H2,1-2H3,(H,18,19)
InChIKeyVTONDUIXWWREDZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.61
Rot. Bonds8

About 2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid

2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid (PubChem CID 79315091) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
PubChem CID79315091
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
SMILESCCN1CCCC1CN(C)CC(NC1CC1)C(=O)O
InChIInChI=1S/C14H27N3O2/c1-3-17-8-4-5-12(17)9-16(2)10-13(14(18)19)15-11-6-7-11/h11-13,15H,3-10H2,1-2H3,(H,18,19)
InChIKeyVTONDUIXWWREDZ-UHFFFAOYSA-N
XLogP0.61
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanamide
CID 79315941
2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 79319869
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate
CID 79315799
ethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propylamino)propanoate
CID 79309297
(2R)-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]butanoic acid
CID 79315607
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 79315116
(2S)-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107828305
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propan-1-ol
CID 79317833
(2R)-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 79312017
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol
CID 79318223
ethyl 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-hydroxybutanoate
CID 82770373
2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propanoic acid
CID 63699458

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid?
The IUPAC name of 2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid (CID 79315091) is 2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid is CCN1CCCC1CN(C)CC(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid?
The InChIKey is VTONDUIXWWREDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-17-8-4-5-12(17)9-16(2)10-13(14(18)19)15-11-6-7-11/h11-13,15H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid?
2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid has a molecular weight of 269.39 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid is sourced from PubChem (CID 79315091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).