(2S,5S,6S)-6-amino-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

C7H10N2O3 — CID 93495556

IUPAC(2S,5S,6S)-6-amino-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILESN[C@@H]1C(=O)N2[C@H](C(=O)O)CC[C@@H]12
InChIInChI=1S/C7H10N2O3/c8-5-3-1-2-4(7(11)12)9(3)6(5)10/h3-5H,1-2,8H2,(H,11,12)/t3-,4-,5-/m0/s1
InChIKeyAFTROCQRUSKOJR-YUPRTTJUSA-N
MW170.17 g/mol
LogP-1.23
Rot. Bonds1

About (2S,5S,6S)-6-amino-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

(2S,5S,6S)-6-amino-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (PubChem CID 93495556) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is (2S,5S,6S)-6-amino-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5S,6S)-6-amino-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
PubChem CID93495556
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name(2S,5S,6S)-6-amino-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILESN[C@@H]1C(=O)N2[C@H](C(=O)O)CC[C@@H]12
InChIInChI=1S/C7H10N2O3/c8-5-3-1-2-4(7(11)12)9(3)6(5)10/h3-5H,1-2,8H2,(H,11,12)/t3-,4-,5-/m0/s1
InChIKeyAFTROCQRUSKOJR-YUPRTTJUSA-N
XLogP-1.23
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6S)-6-amino-5-oxo-8-sulfanyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid
CID 163466698
6-amino-8-carbamoyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid;6-amino-8-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid
CID 158141875
3-amino-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxylic acid
CID 45089536
(2S,4S,5R,6R)-6-amino-4,7-dioxo-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 90474430
(6S)-7-amino-8-oxo-4,5-dithia-1-azabicyclo[4.2.0]octane-2-carboxylic acid
CID 88848079
(3S,8S)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxylic acid
CID 45082702
4-amino-1-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 83815578
(1R,2S,7S,10S)-3,3-dibromo-5-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-9-azatricyclo[7.3.0.02,4]dodecane-10-carboxylic acid
CID 170168839
7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid
CID 71016765
1,3-dioxo-2-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-5-carboxylic acid
CID 13228057
(2S)-1-cyclobutyl-5-oxopyrrolidine-2-carboxylic acid
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(2S)-1-cyclopentyl-5-oxopyrrolidine-2-carboxylic acid
CID 67459886

Frequently Asked Questions

What is the IUPAC name of (2S,5S,6S)-6-amino-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid?
The IUPAC name of (2S,5S,6S)-6-amino-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CID 93495556) is (2S,5S,6S)-6-amino-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
What is the SMILES notation for (2S,5S,6S)-6-amino-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid?
The canonical SMILES for (2S,5S,6S)-6-amino-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid is N[C@@H]1C(=O)N2[C@H](C(=O)O)CC[C@@H]12.
What is the InChIKey of (2S,5S,6S)-6-amino-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid?
The InChIKey is AFTROCQRUSKOJR-YUPRTTJUSA-N. The full InChI is InChI=1S/C7H10N2O3/c8-5-3-1-2-4(7(11)12)9(3)6(5)10/h3-5H,1-2,8H2,(H,11,12)/t3-,4-,5-/m0/s1.
What are the key properties of (2S,5S,6S)-6-amino-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid?
(2S,5S,6S)-6-amino-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid has a molecular weight of 170.17 g/mol, XLogP of -1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S,6S)-6-amino-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid is sourced from PubChem (CID 93495556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).