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

C12H19NO5 — CID 126547232

IUPAC(2S)-2-[(4R)-2-cyclopropyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid
SMILESCOC(=O)N[C@H](C(=O)O)[C@@H]1CCOC(C2CC2)C1
InChIInChI=1S/C12H19NO5/c1-17-12(16)13-10(11(14)15)8-4-5-18-9(6-8)7-2-3-7/h7-10H,2-6H2,1H3,(H,13,16)(H,14,15)/t8-,9?,10+/m1/s1
InChIKeyQQCXQZJNVPPJTM-FIBVVXLUSA-N
MW257.29 g/mol
LogP1.00
Rot. Bonds4

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

(2S)-2-[(4R)-2-cyclopropyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid (PubChem CID 126547232) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2S)-2-[(4R)-2-cyclopropyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name(2S)-2-[(4R)-2-cyclopropyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid
PubChem CID126547232
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name(2S)-2-[(4R)-2-cyclopropyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid
SMILESCOC(=O)N[C@H](C(=O)O)[C@@H]1CCOC(C2CC2)C1
InChIInChI=1S/C12H19NO5/c1-17-12(16)13-10(11(14)15)8-4-5-18-9(6-8)7-2-3-7/h7-10H,2-6H2,1H3,(H,13,16)(H,14,15)/t8-,9?,10+/m1/s1
InChIKeyQQCXQZJNVPPJTM-FIBVVXLUSA-N
XLogP1.00
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(4R)-2-cyclopropyloxan-4-yl]-2-(methoxycarbonylamino)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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4R)-2-cyclopropyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid?
The IUPAC name of (2S)-2-[(4R)-2-cyclopropyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid (CID 126547232) is (2S)-2-[(4R)-2-cyclopropyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid.
What is the SMILES notation for (2S)-2-[(4R)-2-cyclopropyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid?
The canonical SMILES for (2S)-2-[(4R)-2-cyclopropyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid is COC(=O)N[C@H](C(=O)O)[C@@H]1CCOC(C2CC2)C1.
What is the InChIKey of (2S)-2-[(4R)-2-cyclopropyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid?
The InChIKey is QQCXQZJNVPPJTM-FIBVVXLUSA-N. The full InChI is InChI=1S/C12H19NO5/c1-17-12(16)13-10(11(14)15)8-4-5-18-9(6-8)7-2-3-7/h7-10H,2-6H2,1H3,(H,13,16)(H,14,15)/t8-,9?,10+/m1/s1.
What are the key properties of (2S)-2-[(4R)-2-cyclopropyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid?
(2S)-2-[(4R)-2-cyclopropyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid has a molecular weight of 257.29 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4R)-2-cyclopropyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid is sourced from PubChem (CID 126547232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).