1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid

C12H24N2O2 — CID 79655552

IUPAC1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESCC(C)C(C)N(C)C1CCC(N)(C(=O)O)C1
InChIInChI=1S/C12H24N2O2/c1-8(2)9(3)14(4)10-5-6-12(13,7-10)11(15)16/h8-10H,5-7,13H2,1-4H3,(H,15,16)
InChIKeyVHJARVFBDZNDMQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.30
Rot. Bonds4

About 1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid

1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 79655552) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID79655552
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESCC(C)C(C)N(C)C1CCC(N)(C(=O)O)C1
InChIInChI=1S/C12H24N2O2/c1-8(2)9(3)14(4)10-5-6-12(13,7-10)11(15)16/h8-10H,5-7,13H2,1-4H3,(H,15,16)
InChIKeyVHJARVFBDZNDMQ-UHFFFAOYSA-N
XLogP1.30
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[methyl(2-methylpropyl)amino]cyclopentane-1-carboxylic acid
CID 79650269
methyl 1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636382
1-(cyclopropylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid
CID 79655123
1-amino-3-[cyclohexyl(methyl)amino]cyclopentane-1-carboxylic acid
CID 79650265
1-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentane-1-carboxamide
CID 79655573
1-amino-3-(dimethylamino)cyclohexane-1-carboxylic acid
CID 79636513
ethyl 1-amino-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate
CID 79655725
1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 107871020
ethyl 1-(methylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylate
CID 79655405
ethyl 1-(ethylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylate
CID 79655265
1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79636910
1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide
CID 79636285

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid (CID 79655552) is 1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid is CC(C)C(C)N(C)C1CCC(N)(C(=O)O)C1.
What is the InChIKey of 1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is VHJARVFBDZNDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(2)9(3)14(4)10-5-6-12(13,7-10)11(15)16/h8-10H,5-7,13H2,1-4H3,(H,15,16).
What are the key properties of 1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid?
1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 228.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79655552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).