2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid

C12H22N2O3 — CID 64684113

IUPAC2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid
SMILESCCC(N)C(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C12H22N2O3/c1-2-9(13)11(17)14-12(8-10(15)16)6-4-3-5-7-12/h9H,2-8,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyRNDIPARRWMBYSJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.02
Rot. Bonds5

About 2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid

2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid (PubChem CID 64684113) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid
PubChem CID64684113
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid
SMILESCCC(N)C(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C12H22N2O3/c1-2-9(13)11(17)14-12(8-10(15)16)6-4-3-5-7-12/h9H,2-8,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyRNDIPARRWMBYSJ-UHFFFAOYSA-N
XLogP1.02
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid
CID 79845445
2-[1-[(2-amino-4-methylsulfonylbutanoyl)amino]cyclohexyl]acetic acid
CID 64686099
2-[1-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexyl]acetic acid
CID 64685103
2-[1-(2-aminohexanoylamino)cyclopentyl]acetic acid
CID 64702103
2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid
CID 64702115
2-[1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]cyclopentyl]acetic acid
CID 64702104
2-[1-[(2-amino-3-methylbutanoyl)amino]cyclopentyl]acetic acid
CID 64702283
2-[1-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclopentyl]acetic acid
CID 64701117
1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
CID 61158693
2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid
CID 103513328
2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64699645
2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid
CID 114873756

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid (CID 64684113) is 2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid is CCC(N)C(=O)NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid?
The InChIKey is RNDIPARRWMBYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-9(13)11(17)14-12(8-10(15)16)6-4-3-5-7-12/h9H,2-8,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid?
2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 64684113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).