CID 157010257

C9H18N2O3+ — CID 157010257

IUPAC—
SMILESCOC(=O)C(CCCC[NH2+])NC(C)=O
InChIInChI=1S/C9H18N2O3/c1-7(12)11-8(9(13)14-2)5-3-4-6-10/h8H,3-6,10H2,1-2H3,(H,11,12)/q+1
InChIKeyKLNKEBIGCFOGKQ-UHFFFAOYSA-N
MW202.25 g/mol
LogP-1.14
Rot. Bonds6

About CID 157010257

CID 157010257 (PubChem CID 157010257) has the molecular formula C9H18N2O3+ and a molecular weight of 202.25 g/mol.

Molecular Properties

Compound NameCID 157010257
PubChem CID157010257
Molecular FormulaC9H18N2O3+
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name—
SMILESCOC(=O)C(CCCC[NH2+])NC(C)=O
InChIInChI=1S/C9H18N2O3/c1-7(12)11-8(9(13)14-2)5-3-4-6-10/h8H,3-6,10H2,1-2H3,(H,11,12)/q+1
InChIKeyKLNKEBIGCFOGKQ-UHFFFAOYSA-N
XLogP-1.14
TPSA80.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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dimethyl 2,5-diacetamidohexanedioate
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dimethyl 2-acetamidononanedioate
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dimethyl (2S)-2-acetamido-6-oxoheptanedioate
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methyl (2R)-2-acetamido-3-[(2-acetamido-3-methoxy-3-oxopropyl)disulfanyl]propanoate
CID 54565842
methyl (2S)-2-acetamidobutanoate
CID 11084154
methyl 2-acetamido-4-cyanobutanoate
CID 88774072
amino 2-acetamido-6-aminohexanoate
CID 89268103
dimethyl (2S)-2-[[(3S)-3-acetamido-4-methoxy-4-oxobutanoyl]amino]-6-hydroxyheptanedioate
CID 10548423
methyl (2S)-2-acetamido-6-(4-bromoanilino)hexanoate
CID 10406023
methyl (2S)-6-acetamido-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]hexanoate
CID 22216362

Frequently Asked Questions

What is the IUPAC name of CID 157010257?
The IUPAC name of CID 157010257 (CID 157010257) is not available.
What is the SMILES notation for CID 157010257?
The canonical SMILES for CID 157010257 is COC(=O)C(CCCC[NH2+])NC(C)=O.
What is the InChIKey of CID 157010257?
The InChIKey is KLNKEBIGCFOGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7(12)11-8(9(13)14-2)5-3-4-6-10/h8H,3-6,10H2,1-2H3,(H,11,12)/q+1.
What are the key properties of CID 157010257?
CID 157010257 has a molecular weight of 202.25 g/mol, XLogP of -1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157010257 is sourced from PubChem (CID 157010257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).