KSCFGLQAPWYWLS-LURJTMIESA-N

Name: KSCFGLQAPWYWLS-LURJTMIESA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₁₅NO₅ — CID 118253843

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl (2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoate

SMILESCOC(=O)CCO[C@@H](CN)C(=O)OC

InChIInChI=1S/C8H15NO5/c1-12-7(10)3-4-14-6(5-9)8(11)13-2/h6H,3-5,9H2,1-2H3/t6-/m0/s1

InChIKeyKSCFGLQAPWYWLS-LURJTMIESA-N

MW205.21 g/mol

LogP-0.93

Rot. Bonds6

About KSCFGLQAPWYWLS-LURJTMIESA-N

KSCFGLQAPWYWLS-LURJTMIESA-N (PubChem CID 118253843) has the molecular formula C₈H₁₅NO₅ and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl (2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoate.

Molecular Properties

Compound Name	KSCFGLQAPWYWLS-LURJTMIESA-N
PubChem CID	118253843
Molecular Formula	C₈H₁₅NO₅
Molecular Weight	205.21 g/mol
Exact Mass	205.10
IUPAC Name	methyl (2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoate
SMILES	COC(=O)CCO[C@@H](CN)C(=O)OC
InChI	InChI=1S/C8H15NO5/c1-12-7(10)3-4-14-6(5-9)8(11)13-2/h6H,3-5,9H2,1-2H3/t6-/m0/s1
InChIKey	KSCFGLQAPWYWLS-LURJTMIESA-N
XLogP	-0.93
TPSA	87.85 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	205.21
LogP ≤ 5	-0.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of KSCFGLQAPWYWLS-LURJTMIESA-N?

The IUPAC name of KSCFGLQAPWYWLS-LURJTMIESA-N (CID 118253843) is methyl (2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoate.

What is the SMILES notation for KSCFGLQAPWYWLS-LURJTMIESA-N?

The canonical SMILES for KSCFGLQAPWYWLS-LURJTMIESA-N is COC(=O)CCO[C@@H](CN)C(=O)OC.

What is the InChIKey of KSCFGLQAPWYWLS-LURJTMIESA-N?

The InChIKey is KSCFGLQAPWYWLS-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO5/c1-12-7(10)3-4-14-6(5-9)8(11)13-2/h6H,3-5,9H2,1-2H3/t6-/m0/s1.

What are the key properties of KSCFGLQAPWYWLS-LURJTMIESA-N?

KSCFGLQAPWYWLS-LURJTMIESA-N has a molecular weight of 205.21 g/mol, XLogP of -0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for KSCFGLQAPWYWLS-LURJTMIESA-N is sourced from PubChem (CID 118253843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 118253843 — identifiers, structure, computed properties (public domain)

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