4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid

C12H24N2O2 — CID 63027278

IUPAC4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid
SMILESCCNC(CCN(C)C1CCCC1)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-3-13-11(12(15)16)8-9-14(2)10-6-4-5-7-10/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyDUBBHGRCLLGYBP-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.31
Rot. Bonds7

About 4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid

4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid (PubChem CID 63027278) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid.

Molecular Properties

Compound Name4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid
PubChem CID63027278
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid
SMILESCCNC(CCN(C)C1CCCC1)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-3-13-11(12(15)16)8-9-14(2)10-6-4-5-7-10/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyDUBBHGRCLLGYBP-UHFFFAOYSA-N
XLogP1.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanamide
CID 63028816
4-[cyclopropyl(methyl)amino]-2-(ethylamino)butanamide
CID 63027258
2-[3-[cyclohexyl(methyl)amino]propylamino]pentanoic acid
CID 83038523
4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid
CID 55144677
2-(ethylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanamide
CID 63054490
2-amino-4-[cycloheptyl(methyl)amino]butanoic acid
CID 63055281
2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid
CID 63054217
4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid
CID 55145476
2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79315867
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 63316569
(2S)-6-cyclohexyl-2-(ethylamino)hexanoic acid
CID 57350778
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid?
The IUPAC name of 4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid (CID 63027278) is 4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid.
What is the SMILES notation for 4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid?
The canonical SMILES for 4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid is CCNC(CCN(C)C1CCCC1)C(=O)O.
What is the InChIKey of 4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid?
The InChIKey is DUBBHGRCLLGYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-13-11(12(15)16)8-9-14(2)10-6-4-5-7-10/h10-11,13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid?
4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid is sourced from PubChem (CID 63027278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).