carboxy(3-hydroxypropyl)carbamic acid

C5H9NO5 — CID 87569437

IUPACcarboxy(3-hydroxypropyl)carbamic acid
SMILESO=C(O)N(CCCO)C(=O)O
InChIInChI=1S/C5H9NO5/c7-3-1-2-6(4(8)9)5(10)11/h7H,1-3H2,(H,8,9)(H,10,11)
InChIKeyCDISKHSJGFPNSQ-UHFFFAOYSA-N
MW163.13 g/mol
LogP0.03
Rot. Bonds3

About carboxy(3-hydroxypropyl)carbamic acid

carboxy(3-hydroxypropyl)carbamic acid (PubChem CID 87569437) has the molecular formula C5H9NO5 and a molecular weight of 163.13 g/mol. Its IUPAC name is carboxy(3-hydroxypropyl)carbamic acid.

Molecular Properties

Compound Namecarboxy(3-hydroxypropyl)carbamic acid
PubChem CID87569437
Molecular FormulaC5H9NO5
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Namecarboxy(3-hydroxypropyl)carbamic acid
SMILESO=C(O)N(CCCO)C(=O)O
InChIInChI=1S/C5H9NO5/c7-3-1-2-6(4(8)9)5(10)11/h7H,1-3H2,(H,8,9)(H,10,11)
InChIKeyCDISKHSJGFPNSQ-UHFFFAOYSA-N
XLogP0.03
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of carboxy(3-hydroxypropyl)carbamic acid?
The IUPAC name of carboxy(3-hydroxypropyl)carbamic acid (CID 87569437) is carboxy(3-hydroxypropyl)carbamic acid.
What is the SMILES notation for carboxy(3-hydroxypropyl)carbamic acid?
The canonical SMILES for carboxy(3-hydroxypropyl)carbamic acid is O=C(O)N(CCCO)C(=O)O.
What is the InChIKey of carboxy(3-hydroxypropyl)carbamic acid?
The InChIKey is CDISKHSJGFPNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO5/c7-3-1-2-6(4(8)9)5(10)11/h7H,1-3H2,(H,8,9)(H,10,11).
What are the key properties of carboxy(3-hydroxypropyl)carbamic acid?
carboxy(3-hydroxypropyl)carbamic acid has a molecular weight of 163.13 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy(3-hydroxypropyl)carbamic acid is sourced from PubChem (CID 87569437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).