carboxy-[(2R)-2-methyl-4-oxobutyl]carbamic acid

C7H11NO5 — CID 89350100

IUPACcarboxy-[(2R)-2-methyl-4-oxobutyl]carbamic acid
SMILESC[C@H](CC=O)CN(C(=O)O)C(=O)O
InChIInChI=1S/C7H11NO5/c1-5(2-3-9)4-8(6(10)11)7(12)13/h3,5H,2,4H2,1H3,(H,10,11)(H,12,13)/t5-/m1/s1
InChIKeyDDRAUAHMWAJZKX-RXMQYKEDSA-N
MW189.17 g/mol
LogP0.87
Rot. Bonds4

About carboxy-[(2R)-2-methyl-4-oxobutyl]carbamic acid

carboxy-[(2R)-2-methyl-4-oxobutyl]carbamic acid (PubChem CID 89350100) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is carboxy-[(2R)-2-methyl-4-oxobutyl]carbamic acid.

Molecular Properties

Compound Namecarboxy-[(2R)-2-methyl-4-oxobutyl]carbamic acid
PubChem CID89350100
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Namecarboxy-[(2R)-2-methyl-4-oxobutyl]carbamic acid
SMILESC[C@H](CC=O)CN(C(=O)O)C(=O)O
InChIInChI=1S/C7H11NO5/c1-5(2-3-9)4-8(6(10)11)7(12)13/h3,5H,2,4H2,1H3,(H,10,11)(H,12,13)/t5-/m1/s1
InChIKeyDDRAUAHMWAJZKX-RXMQYKEDSA-N
XLogP0.87
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carboxy-[(2R)-2-methyl-4-oxobutyl]carbamic acid?
The IUPAC name of carboxy-[(2R)-2-methyl-4-oxobutyl]carbamic acid (CID 89350100) is carboxy-[(2R)-2-methyl-4-oxobutyl]carbamic acid.
What is the SMILES notation for carboxy-[(2R)-2-methyl-4-oxobutyl]carbamic acid?
The canonical SMILES for carboxy-[(2R)-2-methyl-4-oxobutyl]carbamic acid is C[C@H](CC=O)CN(C(=O)O)C(=O)O.
What is the InChIKey of carboxy-[(2R)-2-methyl-4-oxobutyl]carbamic acid?
The InChIKey is DDRAUAHMWAJZKX-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11NO5/c1-5(2-3-9)4-8(6(10)11)7(12)13/h3,5H,2,4H2,1H3,(H,10,11)(H,12,13)/t5-/m1/s1.
What are the key properties of carboxy-[(2R)-2-methyl-4-oxobutyl]carbamic acid?
carboxy-[(2R)-2-methyl-4-oxobutyl]carbamic acid has a molecular weight of 189.17 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy-[(2R)-2-methyl-4-oxobutyl]carbamic acid is sourced from PubChem (CID 89350100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).