CID 162306513

C5H11NNaO3 — CID 162306513

IUPAC—
SMILESO=C(O)NCCCCO.[Na]
InChIInChI=1S/C5H11NO3.Na/c7-4-2-1-3-6-5(8)9;/h6-7H,1-4H2,(H,8,9);
InChIKeyKXQOPYXFUYQQMM-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.35
Rot. Bonds4

About CID 162306513

CID 162306513 (PubChem CID 162306513) has the molecular formula C5H11NNaO3 and a molecular weight of 156.14 g/mol.

Molecular Properties

Compound NameCID 162306513
PubChem CID162306513
Molecular FormulaC5H11NNaO3
Molecular Weight156.14 g/mol
Exact Mass156.06
IUPAC Name—
SMILESO=C(O)NCCCCO.[Na]
InChIInChI=1S/C5H11NO3.Na/c7-4-2-1-3-6-5(8)9;/h6-7H,1-4H2,(H,8,9);
InChIKeyKXQOPYXFUYQQMM-UHFFFAOYSA-N
XLogP-0.35
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2-hydroxyethylamino)hexylcarbamic acid
CID 18423740
3-(3-hydroxypropoxy)propylcarbamic acid
CID 155251053
3-[bis(2-hydroxyethyl)amino]propylcarbamic acid
CID 19088424
12-hydroxydodecylurea
CID 57265418
2-chloro-N-(8-hydroxyoctyl)acetamide;ethane
CID 142307280
3-aminopropylcarbamic acid
CID 3023499
butylcarbamic acid
CID 3026651
(E)-4-(4-hydroxybutylamino)-4-oxobut-2-enoic acid
CID 106840396
4-(6-hydroxyhexylamino)-4-oxobutanoic acid
CID 82675255
4-(methoxycarbonylamino)butylcarbamic acid
CID 139823188
(6-hydroxy-5,5-dimethylhexyl)carbamic acid
CID 90923983
5-(carbamothioylamino)pentylcarbamic acid
CID 23442541

Frequently Asked Questions

What is the IUPAC name of CID 162306513?
The IUPAC name of CID 162306513 (CID 162306513) is not available.
What is the SMILES notation for CID 162306513?
The canonical SMILES for CID 162306513 is O=C(O)NCCCCO.[Na].
What is the InChIKey of CID 162306513?
The InChIKey is KXQOPYXFUYQQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.Na/c7-4-2-1-3-6-5(8)9;/h6-7H,1-4H2,(H,8,9);.
What are the key properties of CID 162306513?
CID 162306513 has a molecular weight of 156.14 g/mol, XLogP of -0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162306513 is sourced from PubChem (CID 162306513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).