5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid

C10H17NO4 — CID 43578459

IUPAC5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N(CCO)C1CC1
InChIInChI=1S/C10H17NO4/c12-7-6-11(8-4-5-8)9(13)2-1-3-10(14)15/h8,12H,1-7H2,(H,14,15)
InChIKeyIAWJQQYUGAIGNP-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.22
Rot. Bonds7

About 5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid

5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid (PubChem CID 43578459) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
PubChem CID43578459
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N(CCO)C1CC1
InChIInChI=1S/C10H17NO4/c12-7-6-11(8-4-5-8)9(13)2-1-3-10(14)15/h8,12H,1-7H2,(H,14,15)
InChIKeyIAWJQQYUGAIGNP-UHFFFAOYSA-N
XLogP0.22
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 54875131
5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)pentanamide
CID 102861187
3-[cyclopropyl(hexanoyl)amino]propanoic acid
CID 60843685
4-[[cyclopropyl(2-hydroxyethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 54995027
5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60950165
N-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide
CID 102862127
2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
CID 63679872
4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid
CID 43270140
3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102861214
N-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide
CID 60953691
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 102865736
N,2-dicyclopropyl-N-(2-hydroxyethyl)acetamide
CID 43576624

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid (CID 43578459) is 5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid is O=C(O)CCCC(=O)N(CCO)C1CC1.
What is the InChIKey of 5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid?
The InChIKey is IAWJQQYUGAIGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c12-7-6-11(8-4-5-8)9(13)2-1-3-10(14)15/h8,12H,1-7H2,(H,14,15).
What are the key properties of 5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid?
5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 43578459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).