(1S,2R,3R,5R,6S)-2-amino-3-prop-2-enoxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid

C11H15NO5 — CID 57208822

IUPAC(1S,2R,3R,5R,6S)-2-amino-3-prop-2-enoxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid
SMILESC=CCO[C@@H]1C[C@H]2[C@H](C(=O)O)[C@H]2[C@]1(N)C(=O)O
InChIInChI=1S/C11H15NO5/c1-2-3-17-6-4-5-7(9(13)14)8(5)11(6,12)10(15)16/h2,5-8H,1,3-4,12H2,(H,13,14)(H,15,16)/t5-,6+,7-,8-,11-/m0/s1
InChIKeyVVVYOKOJKQTJEF-MMNVZLKDSA-N
MW241.24 g/mol
LogP-0.31
Rot. Bonds5

About (1S,2R,3R,5R,6S)-2-amino-3-prop-2-enoxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid

(1S,2R,3R,5R,6S)-2-amino-3-prop-2-enoxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid (PubChem CID 57208822) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is (1S,2R,3R,5R,6S)-2-amino-3-prop-2-enoxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid.

Molecular Properties

Compound Name(1S,2R,3R,5R,6S)-2-amino-3-prop-2-enoxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid
PubChem CID57208822
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name(1S,2R,3R,5R,6S)-2-amino-3-prop-2-enoxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid
SMILESC=CCO[C@@H]1C[C@H]2[C@H](C(=O)O)[C@H]2[C@]1(N)C(=O)O
InChIInChI=1S/C11H15NO5/c1-2-3-17-6-4-5-7(9(13)14)8(5)11(6,12)10(15)16/h2,5-8H,1,3-4,12H2,(H,13,14)(H,15,16)/t5-,6+,7-,8-,11-/m0/s1
InChIKeyVVVYOKOJKQTJEF-MMNVZLKDSA-N
XLogP-0.31
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 135160511
(2R,3R,5S,6S)-2-amino-3-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 66784537
3-aminotricyclo[2.2.1.02,6]heptane-3,5-dicarboxylic acid
CID 22708856
2-amino-3-[(2,3-dichlorophenyl)methyl]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 67684868
(2S,4R)-1-(2-aminoacetyl)-4-prop-2-enoxypyrrolidine-2-carboxylic acid
CID 138750394
4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 66952596
2,5-dioxo-4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 70508828
carbamic acid;prop-2-enyl carbamate
CID 87466810
(1R,2S,5S,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 102066259
methyl 4-prop-2-enoxycyclohexane-1-carboxylate
CID 114450554
(3Z)-8-prop-2-enoxycarbonylbicyclo[4.2.2]deca-3,9-diene-7-carboxylic acid
CID 68953086
2-(prop-2-enylamino)cyclopropane-1-carboxylic acid
CID 117027592

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5R,6S)-2-amino-3-prop-2-enoxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The IUPAC name of (1S,2R,3R,5R,6S)-2-amino-3-prop-2-enoxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid (CID 57208822) is (1S,2R,3R,5R,6S)-2-amino-3-prop-2-enoxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid.
What is the SMILES notation for (1S,2R,3R,5R,6S)-2-amino-3-prop-2-enoxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The canonical SMILES for (1S,2R,3R,5R,6S)-2-amino-3-prop-2-enoxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid is C=CCO[C@@H]1C[C@H]2[C@H](C(=O)O)[C@H]2[C@]1(N)C(=O)O.
What is the InChIKey of (1S,2R,3R,5R,6S)-2-amino-3-prop-2-enoxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
The InChIKey is VVVYOKOJKQTJEF-MMNVZLKDSA-N. The full InChI is InChI=1S/C11H15NO5/c1-2-3-17-6-4-5-7(9(13)14)8(5)11(6,12)10(15)16/h2,5-8H,1,3-4,12H2,(H,13,14)(H,15,16)/t5-,6+,7-,8-,11-/m0/s1.
What are the key properties of (1S,2R,3R,5R,6S)-2-amino-3-prop-2-enoxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid?
(1S,2R,3R,5R,6S)-2-amino-3-prop-2-enoxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid has a molecular weight of 241.24 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5R,6S)-2-amino-3-prop-2-enoxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid is sourced from PubChem (CID 57208822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).