2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid

C11H18N2O3 — CID 116677711

IUPAC2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid
SMILESCC(C(=O)NC(C(=O)O)C1CC1)C1CNC1
InChIInChI=1S/C11H18N2O3/c1-6(8-4-12-5-8)10(14)13-9(11(15)16)7-2-3-7/h6-9,12H,2-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyWZPCRTXNCIEBIJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.18
Rot. Bonds5

About 2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid

2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid (PubChem CID 116677711) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid
PubChem CID116677711
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid
SMILESCC(C(=O)NC(C(=O)O)C1CC1)C1CNC1
InChIInChI=1S/C11H18N2O3/c1-6(8-4-12-5-8)10(14)13-9(11(15)16)7-2-3-7/h6-9,12H,2-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyWZPCRTXNCIEBIJ-UHFFFAOYSA-N
XLogP-0.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Glycyl-L-leucine
CID 92843
L-Alanyl-L-leucine
CID 96801
Ala-Ile
CID 7408079
Glycylisoleucine
CID 259613
glycyl-L-isoleucine
CID 88079
Valylleucine
CID 6993118
DL-Alanyl-DL-leucine
CID 259583
Val-Ile
CID 7010532
N-Glycyl-DL-leucine
CID 102468
Glycyl-D-leucine
CID 1715077
H-Beta-Ala-Leu-OH
CID 7004893
(2S)-2-(cyclopropylformamido)-4-methylpentanoic acid
CID 10845686

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid (CID 116677711) is 2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid is CC(C(=O)NC(C(=O)O)C1CC1)C1CNC1.
What is the InChIKey of 2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid?
The InChIKey is WZPCRTXNCIEBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-6(8-4-12-5-8)10(14)13-9(11(15)16)7-2-3-7/h6-9,12H,2-5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid?
2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid has a molecular weight of 226.28 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid is sourced from PubChem (CID 116677711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).