2-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-2-(methoxycarbonylamino)acetic acid

C10H15NO4 — CID 118505451

IUPAC2-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-2-(methoxycarbonylamino)acetic acid
SMILESCOC(=O)NC(C(=O)O)C1[C@H]2CCC[C@@H]12
InChIInChI=1S/C10H15NO4/c1-15-10(14)11-8(9(12)13)7-5-3-2-4-6(5)7/h5-8H,2-4H2,1H3,(H,11,14)(H,12,13)/t5-,6+,7?,8?
InChIKeyLVAPUCAGRMTVDQ-XEDAXZNXSA-N
MW213.23 g/mol
LogP0.84
Rot. Bonds3

About 2-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-2-(methoxycarbonylamino)acetic acid

2-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-2-(methoxycarbonylamino)acetic acid (PubChem CID 118505451) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-2-(methoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name2-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-2-(methoxycarbonylamino)acetic acid
PubChem CID118505451
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-2-(methoxycarbonylamino)acetic acid
SMILESCOC(=O)NC(C(=O)O)C1[C@H]2CCC[C@@H]12
InChIInChI=1S/C10H15NO4/c1-15-10(14)11-8(9(12)13)7-5-3-2-4-6(5)7/h5-8H,2-4H2,1H3,(H,11,14)(H,12,13)/t5-,6+,7?,8?
InChIKeyLVAPUCAGRMTVDQ-XEDAXZNXSA-N
XLogP0.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methoxycarbonylamino)-2-(6-methyl-3-bicyclo[3.1.0]hexanyl)acetic acid
CID 123154455
(2S)-2-(methoxycarbonylamino)-2-[(2S)-oxan-2-yl]acetic acid
CID 129392106
(2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
CID 86330213
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
2-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(methoxycarbonylamino)acetic acid
CID 90299426
2-[(1S,2R)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 166728593
(2S)-2-[(2R,6R)-2,6-dimethyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid
CID 66746681
(2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid
CID 66981887
ethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate
CID 143630049
methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate
CID 126658283
(2S)-2-[(4R)-2-cyclopropyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid
CID 126547232
methyl N-[1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 68574299

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-2-(methoxycarbonylamino)acetic acid?
The IUPAC name of 2-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-2-(methoxycarbonylamino)acetic acid (CID 118505451) is 2-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-2-(methoxycarbonylamino)acetic acid.
What is the SMILES notation for 2-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-2-(methoxycarbonylamino)acetic acid?
The canonical SMILES for 2-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-2-(methoxycarbonylamino)acetic acid is COC(=O)NC(C(=O)O)C1[C@H]2CCC[C@@H]12.
What is the InChIKey of 2-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-2-(methoxycarbonylamino)acetic acid?
The InChIKey is LVAPUCAGRMTVDQ-XEDAXZNXSA-N. The full InChI is InChI=1S/C10H15NO4/c1-15-10(14)11-8(9(12)13)7-5-3-2-4-6(5)7/h5-8H,2-4H2,1H3,(H,11,14)(H,12,13)/t5-,6+,7?,8?.
What are the key properties of 2-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-2-(methoxycarbonylamino)acetic acid?
2-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-2-(methoxycarbonylamino)acetic acid has a molecular weight of 213.23 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-2-(methoxycarbonylamino)acetic acid is sourced from PubChem (CID 118505451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).