2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride

C11H21ClN2O3 — CID 119913701

IUPAC2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
SMILESCC(C(=O)O)N(C)CC(=O)NC1CCCC1.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-8(11(15)16)13(2)7-10(14)12-9-5-3-4-6-9;/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16);1H
InChIKeyRBKKUXPYDMMHJN-UHFFFAOYSA-N
MW264.75 g/mol
LogP0.87
Rot. Bonds5

About 2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride

2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride (PubChem CID 119913701) has the molecular formula C11H21ClN2O3 and a molecular weight of 264.75 g/mol. Its IUPAC name is 2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
PubChem CID119913701
Molecular FormulaC11H21ClN2O3
Molecular Weight264.75 g/mol
Exact Mass264.12
IUPAC Name2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
SMILESCC(C(=O)O)N(C)CC(=O)NC1CCCC1.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-8(11(15)16)13(2)7-10(14)12-9-5-3-4-6-9;/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16);1H
InChIKeyRBKKUXPYDMMHJN-UHFFFAOYSA-N
XLogP0.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
CID 62637591
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 62638909
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053534
2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637395
2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 119913375
2-[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913482
N-cyclopropyl-2-[(1-hydrazinyl-1-oxopropan-2-yl)-methylamino]acetamide
CID 63584391
2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide
CID 63228388
2-[methyl(propan-2-yl)amino]-N-piperidin-3-ylacetamide;dihydrochloride
CID 119424560
2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60840485
2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 43216485
methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60670343

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
The IUPAC name of 2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride (CID 119913701) is 2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride is CC(C(=O)O)N(C)CC(=O)NC1CCCC1.Cl.
What is the InChIKey of 2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
The InChIKey is RBKKUXPYDMMHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3.ClH/c1-8(11(15)16)13(2)7-10(14)12-9-5-3-4-6-9;/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16);1H.
What are the key properties of 2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride has a molecular weight of 264.75 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride is sourced from PubChem (CID 119913701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).