2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid

C10H18N2O3 — CID 79845445

IUPAC2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid
SMILESCC[C@H](N)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C10H18N2O3/c1-2-7(11)9(15)12-10(4-3-5-10)6-8(13)14/h7H,2-6,11H2,1H3,(H,12,15)(H,13,14)/t7-/m0/s1
InChIKeyGHQWWIASNXCUCR-ZETCQYMHSA-N
MW214.26 g/mol
LogP0.24
Rot. Bonds5

About 2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid

2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid (PubChem CID 79845445) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid
PubChem CID79845445
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid
SMILESCC[C@H](N)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C10H18N2O3/c1-2-7(11)9(15)12-10(4-3-5-10)6-8(13)14/h7H,2-6,11H2,1H3,(H,12,15)(H,13,14)/t7-/m0/s1
InChIKeyGHQWWIASNXCUCR-ZETCQYMHSA-N
XLogP0.24
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid
CID 64684113
2-[1-(2-aminohexanoylamino)cyclopentyl]acetic acid
CID 64702103
2-[1-[(2-amino-3-methylpentanoyl)amino]cyclopentyl]acetic acid
CID 64702115
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-[[(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
2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid
CID 79845201
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 106298521
2-[1-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclobutyl]acetic acid
CID 79846205
2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid
CID 103513328

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid (CID 79845445) is 2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid is CC[C@H](N)C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid?
The InChIKey is GHQWWIASNXCUCR-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-7(11)9(15)12-10(4-3-5-10)6-8(13)14/h7H,2-6,11H2,1H3,(H,12,15)(H,13,14)/t7-/m0/s1.
What are the key properties of 2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid?
2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid has a molecular weight of 214.26 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2S)-2-aminobutanoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79845445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).