3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid

C10H20N2O4 — CID 79386088

IUPAC3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid
SMILESCCN(CC(C)(C)O)C(=O)NCCC(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-12(7-10(2,3)16)9(15)11-6-5-8(13)14/h16H,4-7H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyLVAKEEMUXRQIKA-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.26
Rot. Bonds6

About 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid

3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid (PubChem CID 79386088) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid
PubChem CID79386088
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid
SMILESCCN(CC(C)(C)O)C(=O)NCCC(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-12(7-10(2,3)16)9(15)11-6-5-8(13)14/h16H,4-7H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyLVAKEEMUXRQIKA-UHFFFAOYSA-N
XLogP0.26
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[bis(2,2-dimethylpropyl)carbamoylamino]propanoic acid
CID 122017989
3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 79386469
4-(diethylcarbamoylamino)butanoic acid
CID 28511499
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-oxopropanoic acid
CID 79385431
3-[tert-butyl-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid
CID 79386010
3-[ethyl(propylcarbamoyl)amino]propanoic acid
CID 61007804
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800793
4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]butanoic acid
CID 79379882
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylpentanoic acid
CID 79385556
3-[bis(2-methylpropyl)carbamoylamino]propanoic acid
CID 61378500
3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79377535
3-[[benzyl(2,2-dimethylpropyl)carbamoyl]amino]propanoic acid
CID 122019025

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid (CID 79386088) is 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid is CCN(CC(C)(C)O)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid?
The InChIKey is LVAKEEMUXRQIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-12(7-10(2,3)16)9(15)11-6-5-8(13)14/h16H,4-7H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid?
3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 79386088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).