methyl N-[3-[(1R)-1-hydroxyethoxy]propyl]carbamate

C7H15NO4 — CID 146507765

IUPACmethyl N-[3-[(1R)-1-hydroxyethoxy]propyl]carbamate
SMILESCOC(=O)NCCCO[C@H](C)O
InChIInChI=1S/C7H15NO4/c1-6(9)12-5-3-4-8-7(10)11-2/h6,9H,3-5H2,1-2H3,(H,8,10)/t6-/m1/s1
InChIKeyIOYLOQSTLYOIQZ-ZCFIWIBFSA-N
MW177.20 g/mol
LogP0.09
Rot. Bonds5

About methyl N-[3-[(1R)-1-hydroxyethoxy]propyl]carbamate

methyl N-[3-[(1R)-1-hydroxyethoxy]propyl]carbamate (PubChem CID 146507765) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is methyl N-[3-[(1R)-1-hydroxyethoxy]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(1R)-1-hydroxyethoxy]propyl]carbamate
PubChem CID146507765
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Namemethyl N-[3-[(1R)-1-hydroxyethoxy]propyl]carbamate
SMILESCOC(=O)NCCCO[C@H](C)O
InChIInChI=1S/C7H15NO4/c1-6(9)12-5-3-4-8-7(10)11-2/h6,9H,3-5H2,1-2H3,(H,8,10)/t6-/m1/s1
InChIKeyIOYLOQSTLYOIQZ-ZCFIWIBFSA-N
XLogP0.09
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
methyl N-(3-aminooxypropyl)carbamate
CID 59658343
methyl N-(4-methylhexyl)carbamate
CID 126664152
4-(methoxycarbonylamino)butylcarbamic acid
CID 139823188
2-hydroxy-N-(3-methoxypropyl)propanamide
CID 43558715
methyl N-[(E)-7-hydroxyoct-5-enyl]carbamate
CID 25188540
propan-2-yl 4-(methoxycarbonylamino)butanoate
CID 14940599
methyl N-nonylcarbamate
CID 5102101
methyl N-[12-(methylamino)dodecyl]carbamate
CID 158871093
(2S)-2-hydroxy-N-(3-methoxypropyl)-4-methylpentanamide
CID 118216551
2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide
CID 62476611

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[(1R)-1-hydroxyethoxy]propyl]carbamate?
The IUPAC name of methyl N-[3-[(1R)-1-hydroxyethoxy]propyl]carbamate (CID 146507765) is methyl N-[3-[(1R)-1-hydroxyethoxy]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[(1R)-1-hydroxyethoxy]propyl]carbamate?
The canonical SMILES for methyl N-[3-[(1R)-1-hydroxyethoxy]propyl]carbamate is COC(=O)NCCCO[C@H](C)O.
What is the InChIKey of methyl N-[3-[(1R)-1-hydroxyethoxy]propyl]carbamate?
The InChIKey is IOYLOQSTLYOIQZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NO4/c1-6(9)12-5-3-4-8-7(10)11-2/h6,9H,3-5H2,1-2H3,(H,8,10)/t6-/m1/s1.
What are the key properties of methyl N-[3-[(1R)-1-hydroxyethoxy]propyl]carbamate?
methyl N-[3-[(1R)-1-hydroxyethoxy]propyl]carbamate has a molecular weight of 177.20 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(1R)-1-hydroxyethoxy]propyl]carbamate is sourced from PubChem (CID 146507765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).