CID 139245396

C8H12N3O5 — CID 139245396

IUPAC—
SMILESCC(=O)NC([C](CC(N)=O)C(=O)O)C(N)=O
InChIInChI=1S/C8H12N3O5/c1-3(12)11-6(7(10)14)4(8(15)16)2-5(9)13/h6H,2H2,1H3,(H2,9,13)(H2,10,14)(H,11,12)(H,15,16)
InChIKeyNFVBQUJSUOQBJR-UHFFFAOYSA-N
MW230.20 g/mol
LogP-2.49
Rot. Bonds6

About CID 139245396

CID 139245396 (PubChem CID 139245396) has the molecular formula C8H12N3O5 and a molecular weight of 230.20 g/mol.

Molecular Properties

Compound NameCID 139245396
PubChem CID139245396
Molecular FormulaC8H12N3O5
Molecular Weight230.20 g/mol
Exact Mass230.08
IUPAC Name—
SMILESCC(=O)NC([C](CC(N)=O)C(=O)O)C(N)=O
InChIInChI=1S/C8H12N3O5/c1-3(12)11-6(7(10)14)4(8(15)16)2-5(9)13/h6H,2H2,1H3,(H2,9,13)(H2,10,14)(H,11,12)(H,15,16)
InChIKeyNFVBQUJSUOQBJR-UHFFFAOYSA-N
XLogP-2.49
TPSA152.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 5-2.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-acetamido-4-oxopentanamide
CID 58664367
2-acetamido-2-methoxyacetamide
CID 149161811
4-acetamido-5-amino-5-oxopentanoic acid
CID 23273726
methyl 2-acetamido-3-oxopent-4-enoate
CID 57103359
methyl (2R)-2-acetamidopropanoate
CID 6951031
4-acetamido-5-amino-5-oxo-3-sulfanylpentanoic acid
CID 139245341
3-acetamido-4-amino-2-hydroxy-4-oxo-2-sulfanylbutanoic acid
CID 139245360
(2S,3S)-2-acetamido-3-methylpentanamide
CID 6950966
2-acetamidopentanamide
CID 23273489
2-acetamido-3-methylbut-3-enoic acid
CID 112692957
(2R)-2-acetamido-3-methylbutanamide
CID 40561650
methyl 2-acetamido-3-acetyloxypropanoate
CID 538243

Frequently Asked Questions

What is the IUPAC name of CID 139245396?
The IUPAC name of CID 139245396 (CID 139245396) is not available.
What is the SMILES notation for CID 139245396?
The canonical SMILES for CID 139245396 is CC(=O)NC([C](CC(N)=O)C(=O)O)C(N)=O.
What is the InChIKey of CID 139245396?
The InChIKey is NFVBQUJSUOQBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N3O5/c1-3(12)11-6(7(10)14)4(8(15)16)2-5(9)13/h6H,2H2,1H3,(H2,9,13)(H2,10,14)(H,11,12)(H,15,16).
What are the key properties of CID 139245396?
CID 139245396 has a molecular weight of 230.20 g/mol, XLogP of -2.49, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139245396 is sourced from PubChem (CID 139245396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).