2-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(methoxycarbonylamino)acetic acid

C11H16N2O5 — CID 90299426

IUPAC2-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(methoxycarbonylamino)acetic acid
SMILESCOC(=O)NC(C(=O)O)C1CN(C(=O)C2CC2)C1
InChIInChI=1S/C11H16N2O5/c1-18-11(17)12-8(10(15)16)7-4-13(5-7)9(14)6-2-3-6/h6-8H,2-5H2,1H3,(H,12,17)(H,15,16)
InChIKeyTZTWXZFISKTKCH-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.34
Rot. Bonds4

About 2-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(methoxycarbonylamino)acetic acid

2-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(methoxycarbonylamino)acetic acid (PubChem CID 90299426) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(methoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name2-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(methoxycarbonylamino)acetic acid
PubChem CID90299426
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name2-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(methoxycarbonylamino)acetic acid
SMILESCOC(=O)NC(C(=O)O)C1CN(C(=O)C2CC2)C1
InChIInChI=1S/C11H16N2O5/c1-18-11(17)12-8(10(15)16)7-4-13(5-7)9(14)6-2-3-6/h6-8H,2-5H2,1H3,(H,12,17)(H,15,16)
InChIKeyTZTWXZFISKTKCH-UHFFFAOYSA-N
XLogP-0.34
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
CID 86330213
methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate
CID 126658283
2-(methoxycarbonylamino)-2-(6-methyl-3-bicyclo[3.1.0]hexanyl)acetic acid
CID 123154455
2-(1-acetylazetidin-3-yl)-2-(carboxyamino)acetic acid
CID 90299465
(2S)-2-[(2R,6R)-2,6-dimethyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid
CID 66746681
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
2-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-2-(methoxycarbonylamino)acetic acid
CID 118505451
(2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid
CID 66981887
cyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone
CID 130678865
3-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]azetidine-1-carboxylic acid
CID 141430823
(2S)-2-[(4R)-2-cyclopropyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid
CID 126547232
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(1-methylpyrrolidin-3-yl)acetic acid
CID 84709491

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(methoxycarbonylamino)acetic acid?
The IUPAC name of 2-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(methoxycarbonylamino)acetic acid (CID 90299426) is 2-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(methoxycarbonylamino)acetic acid.
What is the SMILES notation for 2-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(methoxycarbonylamino)acetic acid?
The canonical SMILES for 2-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(methoxycarbonylamino)acetic acid is COC(=O)NC(C(=O)O)C1CN(C(=O)C2CC2)C1.
What is the InChIKey of 2-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(methoxycarbonylamino)acetic acid?
The InChIKey is TZTWXZFISKTKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-18-11(17)12-8(10(15)16)7-4-13(5-7)9(14)6-2-3-6/h6-8H,2-5H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 2-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(methoxycarbonylamino)acetic acid?
2-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(methoxycarbonylamino)acetic acid has a molecular weight of 256.26 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(methoxycarbonylamino)acetic acid is sourced from PubChem (CID 90299426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).