(2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid

C10H17NO5 — CID 66981887

IUPAC(2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid
SMILESCOC(=O)N[C@H](C(=O)O)[C@@H]1CCO[C@@H](C)C1
InChIInChI=1S/C10H17NO5/c1-6-5-7(3-4-16-6)8(9(12)13)11-10(14)15-2/h6-8H,3-5H2,1-2H3,(H,11,14)(H,12,13)/t6-,7+,8-/m0/s1
InChIKeyBFYQMOAIQQHPCI-RNJXMRFFSA-N
MW231.25 g/mol
LogP0.61
Rot. Bonds3

About (2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid

(2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid (PubChem CID 66981887) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid.

Molecular Properties

Compound Name(2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid
PubChem CID66981887
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid
SMILESCOC(=O)N[C@H](C(=O)O)[C@@H]1CCO[C@@H](C)C1
InChIInChI=1S/C10H17NO5/c1-6-5-7(3-4-16-6)8(9(12)13)11-10(14)15-2/h6-8H,3-5H2,1-2H3,(H,11,14)(H,12,13)/t6-,7+,8-/m0/s1
InChIKeyBFYQMOAIQQHPCI-RNJXMRFFSA-N
XLogP0.61
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(4R)-2-cyclopropyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid
CID 126547232
(2S)-2-[(2R,6R)-2,6-dimethyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid
CID 66746681
2-(2-ethenyloxan-4-yl)-2-(methoxycarbonylamino)acetic acid
CID 123450440
2-(methoxycarbonylamino)-2-(6-methyl-3-bicyclo[3.1.0]hexanyl)acetic acid
CID 123154455
(2R)-2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
CID 86330213
methyl 2-hydroxy-2-(2-methyloxan-4-yl)acetate
CID 66290660
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
(2S)-2-(methoxycarbonylamino)-2-[(2R,4S)-2-methyl-6-propyloxan-4-yl]acetic acid
CID 90143930
(2S)-2-(methoxycarbonylamino)-2-[(2S)-oxan-2-yl]acetic acid
CID 129392106
2-[(2-methyloxane-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548454
methyl N-[2-amino-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 123481327
2-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-(methoxycarbonylamino)acetic acid
CID 90299426

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid?
The IUPAC name of (2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid (CID 66981887) is (2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid.
What is the SMILES notation for (2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid?
The canonical SMILES for (2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid is COC(=O)N[C@H](C(=O)O)[C@@H]1CCO[C@@H](C)C1.
What is the InChIKey of (2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid?
The InChIKey is BFYQMOAIQQHPCI-RNJXMRFFSA-N. The full InChI is InChI=1S/C10H17NO5/c1-6-5-7(3-4-16-6)8(9(12)13)11-10(14)15-2/h6-8H,3-5H2,1-2H3,(H,11,14)(H,12,13)/t6-,7+,8-/m0/s1.
What are the key properties of (2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid?
(2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid has a molecular weight of 231.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid is sourced from PubChem (CID 66981887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).