(2S)-2-amino-2-[(1S,2R,3R,4R)-3-hydroxy-2-bicyclo[2.2.1]heptanyl]acetic acid

C9H15NO3 — CID 122229668

IUPAC(2S)-2-amino-2-[(1S,2R,3R,4R)-3-hydroxy-2-bicyclo[2.2.1]heptanyl]acetic acid
SMILESN[C@H](C(=O)O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1O
InChIInChI=1S/C9H15NO3/c10-7(9(12)13)6-4-1-2-5(3-4)8(6)11/h4-8,11H,1-3,10H2,(H,12,13)/t4-,5+,6+,7-,8+/m0/s1
InChIKeyCJDIDHOQWDTZIB-FMGWEMOISA-N
MW185.22 g/mol
LogP-0.19
Rot. Bonds2

About (2S)-2-amino-2-[(1S,2R,3R,4R)-3-hydroxy-2-bicyclo[2.2.1]heptanyl]acetic acid

(2S)-2-amino-2-[(1S,2R,3R,4R)-3-hydroxy-2-bicyclo[2.2.1]heptanyl]acetic acid (PubChem CID 122229668) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (2S)-2-amino-2-[(1S,2R,3R,4R)-3-hydroxy-2-bicyclo[2.2.1]heptanyl]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[(1S,2R,3R,4R)-3-hydroxy-2-bicyclo[2.2.1]heptanyl]acetic acid
PubChem CID122229668
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(2S)-2-amino-2-[(1S,2R,3R,4R)-3-hydroxy-2-bicyclo[2.2.1]heptanyl]acetic acid
SMILESN[C@H](C(=O)O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1O
InChIInChI=1S/C9H15NO3/c10-7(9(12)13)6-4-1-2-5(3-4)8(6)11/h4-8,11H,1-3,10H2,(H,12,13)/t4-,5+,6+,7-,8+/m0/s1
InChIKeyCJDIDHOQWDTZIB-FMGWEMOISA-N
XLogP-0.19
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-2-[(1S,2R,3R,4R)-3-hydroxy-2-bicyclo[2.2.1]heptanyl]acetic acid with MolForge

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Related Compounds

bicyclo[2.1.0]pentane;2-methylpropanoic acid
CID 174730987
trans-(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid
CID 5310979
tricyclo[4.3.1.13,8]undecane-2,7-diol
CID 12673622
trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]cyclobutane-1-carboxylic acid
CID 10352165
(2S)-2-amino-2-(2-methylcyclopropyl)acetic acid
CID 58242042
2-methyl-3-(3-methyl-2-bicyclo[2.2.1]heptanyl)butanedioic acid
CID 59102887
(2S)-2-amino-2-[(2R)-piperidin-2-yl]acetic acid
CID 15869910
2-amino-2-(3-tert-butylcyclohexyl)acetic acid
CID 90418156
(2S)-2-amino-2-(4-methylcyclohexyl)acetic acid
CID 57462435
3-cyclopropylbicyclo[2.2.1]heptan-2-ol
CID 123278941
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 22821221
(2S)-2-amino-2-[(3S,5S)-3-hydroxy-1,2-oxazolidin-5-yl]acetic acid
CID 24820118

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[(1S,2R,3R,4R)-3-hydroxy-2-bicyclo[2.2.1]heptanyl]acetic acid?
The IUPAC name of (2S)-2-amino-2-[(1S,2R,3R,4R)-3-hydroxy-2-bicyclo[2.2.1]heptanyl]acetic acid (CID 122229668) is (2S)-2-amino-2-[(1S,2R,3R,4R)-3-hydroxy-2-bicyclo[2.2.1]heptanyl]acetic acid.
What is the SMILES notation for (2S)-2-amino-2-[(1S,2R,3R,4R)-3-hydroxy-2-bicyclo[2.2.1]heptanyl]acetic acid?
The canonical SMILES for (2S)-2-amino-2-[(1S,2R,3R,4R)-3-hydroxy-2-bicyclo[2.2.1]heptanyl]acetic acid is N[C@H](C(=O)O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1O.
What is the InChIKey of (2S)-2-amino-2-[(1S,2R,3R,4R)-3-hydroxy-2-bicyclo[2.2.1]heptanyl]acetic acid?
The InChIKey is CJDIDHOQWDTZIB-FMGWEMOISA-N. The full InChI is InChI=1S/C9H15NO3/c10-7(9(12)13)6-4-1-2-5(3-4)8(6)11/h4-8,11H,1-3,10H2,(H,12,13)/t4-,5+,6+,7-,8+/m0/s1.
What are the key properties of (2S)-2-amino-2-[(1S,2R,3R,4R)-3-hydroxy-2-bicyclo[2.2.1]heptanyl]acetic acid?
(2S)-2-amino-2-[(1S,2R,3R,4R)-3-hydroxy-2-bicyclo[2.2.1]heptanyl]acetic acid has a molecular weight of 185.22 g/mol, XLogP of -0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[(1S,2R,3R,4R)-3-hydroxy-2-bicyclo[2.2.1]heptanyl]acetic acid is sourced from PubChem (CID 122229668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).