[3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid

C6H12N2O4 — CID 89354433

IUPAC[3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid
SMILESO=C(O)NCCC(=O)NCCO
InChIInChI=1S/C6H12N2O4/c9-4-3-7-5(10)1-2-8-6(11)12/h8-9H,1-4H2,(H,7,10)(H,11,12)
InChIKeyCMKOUKNQNXZFGL-UHFFFAOYSA-N
MW176.17 g/mol
LogP-1.25
Rot. Bonds5

About [3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid

[3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid (PubChem CID 89354433) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is [3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid.

Molecular Properties

Compound Name[3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid
PubChem CID89354433
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name[3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid
SMILESO=C(O)NCCC(=O)NCCO
InChIInChI=1S/C6H12N2O4/c9-4-3-7-5(10)1-2-8-6(11)12/h8-9H,1-4H2,(H,7,10)(H,11,12)
InChIKeyCMKOUKNQNXZFGL-UHFFFAOYSA-N
XLogP-1.25
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide
CID 86062914
2-(3-acetamidopropanoylamino)ethylcarbamic acid
CID 19805641
3-(3-hydroxypropanoylamino)propanoic acid
CID 117126681
9-(2-hydroxyethylamino)-9-oxononanoic acid
CID 57483082
N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
CID 60853066
N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 14480079
4-hydroxy-N-[2-(4-hydroxybutanoylamino)ethyl]butanamide
CID 95562402
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
[3-(methanesulfonamido)-3-oxopropyl]carbamic acid
CID 87207145
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
3-(3-hydroxypropanoylamino)propanamide
CID 149237763
4-amino-N-(2-hydroxyethyl)-4-methylpentanamide;oxalic acid
CID 88516953

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid?
The IUPAC name of [3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid (CID 89354433) is [3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid.
What is the SMILES notation for [3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid?
The canonical SMILES for [3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid is O=C(O)NCCC(=O)NCCO.
What is the InChIKey of [3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid?
The InChIKey is CMKOUKNQNXZFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4/c9-4-3-7-5(10)1-2-8-6(11)12/h8-9H,1-4H2,(H,7,10)(H,11,12).
What are the key properties of [3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid?
[3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid has a molecular weight of 176.17 g/mol, XLogP of -1.25, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid is sourced from PubChem (CID 89354433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).