2-[1-[(2S,3S)-2-amino-3-methylpentanoyl]azetidin-3-yl]acetic acid

C11H20N2O3 — CID 64605406

IUPAC2-[1-[(2S,3S)-2-amino-3-methylpentanoyl]azetidin-3-yl]acetic acid
SMILESCC[C@H](C)[C@H](N)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-3-7(2)10(12)11(16)13-5-8(6-13)4-9(14)15/h7-8,10H,3-6,12H2,1-2H3,(H,14,15)/t7-,10-/m0/s1
InChIKeyQZBQSXOQDVMMGJ-XVKPBYJWSA-N
MW228.29 g/mol
LogP0.29
Rot. Bonds5

About 2-[1-[(2S,3S)-2-amino-3-methylpentanoyl]azetidin-3-yl]acetic acid

2-[1-[(2S,3S)-2-amino-3-methylpentanoyl]azetidin-3-yl]acetic acid (PubChem CID 64605406) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[1-[(2S,3S)-2-amino-3-methylpentanoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2S,3S)-2-amino-3-methylpentanoyl]azetidin-3-yl]acetic acid
PubChem CID64605406
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[1-[(2S,3S)-2-amino-3-methylpentanoyl]azetidin-3-yl]acetic acid
SMILESCC[C@H](C)[C@H](N)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-3-7(2)10(12)11(16)13-5-8(6-13)4-9(14)15/h7-8,10H,3-6,12H2,1-2H3,(H,14,15)/t7-,10-/m0/s1
InChIKeyQZBQSXOQDVMMGJ-XVKPBYJWSA-N
XLogP0.29
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-1-(3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
CID 103950797
2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid
CID 64604130
2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid
CID 66433819
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid
CID 64604181
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810688
(2S,3S)-2-amino-3-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)pentan-1-one
CID 103833315
2-[4-[(2S)-2-amino-3-methylpentanoyl]piperazin-1-yl]acetic acid
CID 61173409
2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 103950641
(2S,3S)-2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-methylpentan-1-one
CID 81463691
2-[1-(2-amino-5-methoxypentanoyl)azetidin-3-yl]acetic acid
CID 81101945
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methylpentan-1-one
CID 103942735

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S,3S)-2-amino-3-methylpentanoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(2S,3S)-2-amino-3-methylpentanoyl]azetidin-3-yl]acetic acid (CID 64605406) is 2-[1-[(2S,3S)-2-amino-3-methylpentanoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2S,3S)-2-amino-3-methylpentanoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(2S,3S)-2-amino-3-methylpentanoyl]azetidin-3-yl]acetic acid is CC[C@H](C)[C@H](N)C(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[(2S,3S)-2-amino-3-methylpentanoyl]azetidin-3-yl]acetic acid?
The InChIKey is QZBQSXOQDVMMGJ-XVKPBYJWSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-7(2)10(12)11(16)13-5-8(6-13)4-9(14)15/h7-8,10H,3-6,12H2,1-2H3,(H,14,15)/t7-,10-/m0/s1.
What are the key properties of 2-[1-[(2S,3S)-2-amino-3-methylpentanoyl]azetidin-3-yl]acetic acid?
2-[1-[(2S,3S)-2-amino-3-methylpentanoyl]azetidin-3-yl]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S,3S)-2-amino-3-methylpentanoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64605406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).