propyl N-(dihydroxymethyl)carbamate

C5H11NO4 — CID 174469306

IUPACpropyl N-(dihydroxymethyl)carbamate
SMILESCCCOC(=O)NC(O)O
InChIInChI=1S/C5H11NO4/c1-2-3-10-5(9)6-4(7)8/h4,7-8H,2-3H2,1H3,(H,6,9)
InChIKeyRADOAFHDBAHEGL-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.61
Rot. Bonds3

About propyl N-(dihydroxymethyl)carbamate

propyl N-(dihydroxymethyl)carbamate (PubChem CID 174469306) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is propyl N-(dihydroxymethyl)carbamate.

Molecular Properties

Compound Namepropyl N-(dihydroxymethyl)carbamate
PubChem CID174469306
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Namepropyl N-(dihydroxymethyl)carbamate
SMILESCCCOC(=O)NC(O)O
InChIInChI=1S/C5H11NO4/c1-2-3-10-5(9)6-4(7)8/h4,7-8H,2-3H2,1H3,(H,6,9)
InChIKeyRADOAFHDBAHEGL-UHFFFAOYSA-N
XLogP-0.61
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

propyl 3-methyl-2-(propoxycarbonylamino)butanoate
CID 6424364
2-(propoxycarbonylamino)butanedioic acid
CID 142164460
propyl 3,3-dimethyl-2-(propoxycarbonylamino)butanoate
CID 91702788
propyl N-(1-carbamoyloxyethyl)carbamate
CID 57248624
(2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid
CID 88909691
3-amino-2-(propoxycarbonylamino)propanoic acid
CID 54022488
ethyl 3-methyl-2-(propoxycarbonylamino)pentanoate
CID 6424721
propyl N-[(1R)-2,2,2-trichloro-1-[(1R)-2,2,2-trichloro-1-(propoxycarbonylamino)ethoxy]ethyl]carbamate
CID 92840466
butane;propyl N-hydroxycarbamate
CID 174767978
ethane;propyl N-methylcarbamate
CID 142560404
tetradecyl 2-(propoxycarbonylamino)propanoate
CID 6422780
propyl 2-(propoxycarbonylamino)pent-4-enoate
CID 91722512

Frequently Asked Questions

What is the IUPAC name of propyl N-(dihydroxymethyl)carbamate?
The IUPAC name of propyl N-(dihydroxymethyl)carbamate (CID 174469306) is propyl N-(dihydroxymethyl)carbamate.
What is the SMILES notation for propyl N-(dihydroxymethyl)carbamate?
The canonical SMILES for propyl N-(dihydroxymethyl)carbamate is CCCOC(=O)NC(O)O.
What is the InChIKey of propyl N-(dihydroxymethyl)carbamate?
The InChIKey is RADOAFHDBAHEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4/c1-2-3-10-5(9)6-4(7)8/h4,7-8H,2-3H2,1H3,(H,6,9).
What are the key properties of propyl N-(dihydroxymethyl)carbamate?
propyl N-(dihydroxymethyl)carbamate has a molecular weight of 149.15 g/mol, XLogP of -0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(dihydroxymethyl)carbamate is sourced from PubChem (CID 174469306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).