4-[[2-(azetidin-3-yl)acetyl]amino]-2-methylbutanoic acid

C10H18N2O3 — CID 80540037

IUPAC4-[[2-(azetidin-3-yl)acetyl]amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)CC1CNC1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(10(14)15)2-3-12-9(13)4-8-5-11-6-8/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyHVQNDCXYLNYTGU-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.18
Rot. Bonds6

About 4-[[2-(azetidin-3-yl)acetyl]amino]-2-methylbutanoic acid

4-[[2-(azetidin-3-yl)acetyl]amino]-2-methylbutanoic acid (PubChem CID 80540037) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-[[2-(azetidin-3-yl)acetyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[[2-(azetidin-3-yl)acetyl]amino]-2-methylbutanoic acid
PubChem CID80540037
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-[[2-(azetidin-3-yl)acetyl]amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)CC1CNC1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(10(14)15)2-3-12-9(13)4-8-5-11-6-8/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyHVQNDCXYLNYTGU-UHFFFAOYSA-N
XLogP-0.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(3-piperidin-4-ylpropanoylamino)butanoic acid
CID 80539959
2-(azetidin-3-yl)-N-propan-2-ylacetamide
CID 64616125
2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044471
2-[[2-(azetidin-3-yl)acetyl]amino]-3-hydroxybutanoic acid
CID 64610380
3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide
CID 64612461
2-(azetidin-3-yl)-N-(2-methylsulfinylethyl)acetamide
CID 115739196
2-methyl-6-[(2-piperidin-3-ylacetyl)amino]heptanoic acid
CID 65285664
2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid
CID 81079004
(2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid
CID 67328584
4-(cyclopentylmethylamino)-2-methylbutanoic acid
CID 115220780
2-(azetidin-3-yl)-N-(1-hydroxypropan-2-yl)acetamide
CID 64616757
4-(cyclobutylmethylamino)-2-methylbutanoic acid
CID 115220789

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(azetidin-3-yl)acetyl]amino]-2-methylbutanoic acid?
The IUPAC name of 4-[[2-(azetidin-3-yl)acetyl]amino]-2-methylbutanoic acid (CID 80540037) is 4-[[2-(azetidin-3-yl)acetyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[[2-(azetidin-3-yl)acetyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[[2-(azetidin-3-yl)acetyl]amino]-2-methylbutanoic acid is CC(CCNC(=O)CC1CNC1)C(=O)O.
What is the InChIKey of 4-[[2-(azetidin-3-yl)acetyl]amino]-2-methylbutanoic acid?
The InChIKey is HVQNDCXYLNYTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(10(14)15)2-3-12-9(13)4-8-5-11-6-8/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-[[2-(azetidin-3-yl)acetyl]amino]-2-methylbutanoic acid?
4-[[2-(azetidin-3-yl)acetyl]amino]-2-methylbutanoic acid has a molecular weight of 214.26 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(azetidin-3-yl)acetyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 80540037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).