6-(2-hydroxyethoxycarbonylamino)hexanoic acid

C9H17NO5 — CID 170252830

IUPAC6-(2-hydroxyethoxycarbonylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)OCCO
InChIInChI=1S/C9H17NO5/c11-6-7-15-9(14)10-5-3-1-2-4-8(12)13/h11H,1-7H2,(H,10,14)(H,12,13)
InChIKeyUGJHWKPULSPRNE-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.35
Rot. Bonds8

About 6-(2-hydroxyethoxycarbonylamino)hexanoic acid

6-(2-hydroxyethoxycarbonylamino)hexanoic acid (PubChem CID 170252830) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-(2-hydroxyethoxycarbonylamino)hexanoic acid.

Molecular Properties

Compound Name6-(2-hydroxyethoxycarbonylamino)hexanoic acid
PubChem CID170252830
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name6-(2-hydroxyethoxycarbonylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)OCCO
InChIInChI=1S/C9H17NO5/c11-6-7-15-9(14)10-5-3-1-2-4-8(12)13/h11H,1-7H2,(H,10,14)(H,12,13)
InChIKeyUGJHWKPULSPRNE-UHFFFAOYSA-N
XLogP0.35
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl N-heptylcarbamate
CID 124705283
4-[4-[6-[4-[4-(4-hydroxybutoxy)-4-oxobutanoyl]oxybutoxycarbonylamino]hexylcarbamoyloxy]butoxy]-4-oxobutanoic acid
CID 101096938
6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid
CID 143847677
6-(prop-2-enoxycarbonylamino)hexanoic acid
CID 60675511
6-(methoxycarbonylamino)hexanoic acid
CID 22382374
4-hydroxybutyl N-[4-(4-hydroxybutoxycarbonylamino)butyl]carbamate
CID 175946939
2-hydroxyethyl N-(5-methylhexyl)carbamate
CID 115327389
5-(prop-2-ynoxycarbonylamino)pentanoic acid
CID 144787697
2-hydroxyethyl N-[4-(dimethylamino)butyl]carbamate
CID 79348724
5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid
CID 141090456
6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid
CID 58205270
2,6-bis(2-hydroxyethoxycarbonylamino)hexanoic acid
CID 177147686

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethoxycarbonylamino)hexanoic acid?
The IUPAC name of 6-(2-hydroxyethoxycarbonylamino)hexanoic acid (CID 170252830) is 6-(2-hydroxyethoxycarbonylamino)hexanoic acid.
What is the SMILES notation for 6-(2-hydroxyethoxycarbonylamino)hexanoic acid?
The canonical SMILES for 6-(2-hydroxyethoxycarbonylamino)hexanoic acid is O=C(O)CCCCCNC(=O)OCCO.
What is the InChIKey of 6-(2-hydroxyethoxycarbonylamino)hexanoic acid?
The InChIKey is UGJHWKPULSPRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c11-6-7-15-9(14)10-5-3-1-2-4-8(12)13/h11H,1-7H2,(H,10,14)(H,12,13).
What are the key properties of 6-(2-hydroxyethoxycarbonylamino)hexanoic acid?
6-(2-hydroxyethoxycarbonylamino)hexanoic acid has a molecular weight of 219.24 g/mol, XLogP of 0.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethoxycarbonylamino)hexanoic acid is sourced from PubChem (CID 170252830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).