[2-(carboxyamino)-4-hydroxy-2-(2-hydroxyethyl)butyl]carbamic acid

C8H16N2O6 — CID 57076198

IUPAC[2-(carboxyamino)-4-hydroxy-2-(2-hydroxyethyl)butyl]carbamic acid
SMILESO=C(O)NCC(CCO)(CCO)NC(=O)O
InChIInChI=1S/C8H16N2O6/c11-3-1-8(2-4-12,10-7(15)16)5-9-6(13)14/h9-12H,1-5H2,(H,13,14)(H,15,16)
InChIKeyJNHFOHZGCXPOBQ-UHFFFAOYSA-N
MW236.22 g/mol
LogP-0.97
Rot. Bonds7

About [2-(carboxyamino)-4-hydroxy-2-(2-hydroxyethyl)butyl]carbamic acid

[2-(carboxyamino)-4-hydroxy-2-(2-hydroxyethyl)butyl]carbamic acid (PubChem CID 57076198) has the molecular formula C8H16N2O6 and a molecular weight of 236.22 g/mol. Its IUPAC name is [2-(carboxyamino)-4-hydroxy-2-(2-hydroxyethyl)butyl]carbamic acid.

Molecular Properties

Compound Name[2-(carboxyamino)-4-hydroxy-2-(2-hydroxyethyl)butyl]carbamic acid
PubChem CID57076198
Molecular FormulaC8H16N2O6
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC Name[2-(carboxyamino)-4-hydroxy-2-(2-hydroxyethyl)butyl]carbamic acid
SMILESO=C(O)NCC(CCO)(CCO)NC(=O)O
InChIInChI=1S/C8H16N2O6/c11-3-1-8(2-4-12,10-7(15)16)5-9-6(13)14/h9-12H,1-5H2,(H,13,14)(H,15,16)
InChIKeyJNHFOHZGCXPOBQ-UHFFFAOYSA-N
XLogP-0.97
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.22
LogP ≤ 5-0.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(carboxyamino)-4-hydroxy-2-(2-hydroxyethyl)butyl]carbamic acid?
The IUPAC name of [2-(carboxyamino)-4-hydroxy-2-(2-hydroxyethyl)butyl]carbamic acid (CID 57076198) is [2-(carboxyamino)-4-hydroxy-2-(2-hydroxyethyl)butyl]carbamic acid.
What is the SMILES notation for [2-(carboxyamino)-4-hydroxy-2-(2-hydroxyethyl)butyl]carbamic acid?
The canonical SMILES for [2-(carboxyamino)-4-hydroxy-2-(2-hydroxyethyl)butyl]carbamic acid is O=C(O)NCC(CCO)(CCO)NC(=O)O.
What is the InChIKey of [2-(carboxyamino)-4-hydroxy-2-(2-hydroxyethyl)butyl]carbamic acid?
The InChIKey is JNHFOHZGCXPOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O6/c11-3-1-8(2-4-12,10-7(15)16)5-9-6(13)14/h9-12H,1-5H2,(H,13,14)(H,15,16).
What are the key properties of [2-(carboxyamino)-4-hydroxy-2-(2-hydroxyethyl)butyl]carbamic acid?
[2-(carboxyamino)-4-hydroxy-2-(2-hydroxyethyl)butyl]carbamic acid has a molecular weight of 236.22 g/mol, XLogP of -0.97, 7 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carboxyamino)-4-hydroxy-2-(2-hydroxyethyl)butyl]carbamic acid is sourced from PubChem (CID 57076198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).