2-(carboxyamino)pentan-2-ylcarbamic acid

C7H14N2O4 — CID 174501880

IUPAC2-(carboxyamino)pentan-2-ylcarbamic acid
SMILESCCCC(C)(NC(=O)O)NC(=O)O
InChIInChI=1S/C7H14N2O4/c1-3-4-7(2,8-5(10)11)9-6(12)13/h8-9H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyAZJFYCOAGPGLRZ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.04
Rot. Bonds4

About 2-(carboxyamino)pentan-2-ylcarbamic acid

2-(carboxyamino)pentan-2-ylcarbamic acid (PubChem CID 174501880) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(carboxyamino)pentan-2-ylcarbamic acid.

Molecular Properties

Compound Name2-(carboxyamino)pentan-2-ylcarbamic acid
PubChem CID174501880
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name2-(carboxyamino)pentan-2-ylcarbamic acid
SMILESCCCC(C)(NC(=O)O)NC(=O)O
InChIInChI=1S/C7H14N2O4/c1-3-4-7(2,8-5(10)11)9-6(12)13/h8-9H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyAZJFYCOAGPGLRZ-UHFFFAOYSA-N
XLogP1.04
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-cyanopentan-2-ylcarbamic acid;2-methylpropan-2-ol
CID 121434520
4-ethyl-4-methyl-3-oxohexanoic acid
CID 10511393
(1-hydroxy-2-methylheptan-2-yl)carbamic acid
CID 122585217
[(2R)-1-hydroxy-2-methylheptan-2-yl]carbamic acid
CID 122585214
N-(1-hydroxy-2-methylpentan-2-yl)acetamide
CID 131204688
N-(2,4,4-trimethylheptan-2-yl)acetamide
CID 170293406
(4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride
CID 118419337
1,3-bis(2-aminopentan-2-yl)urea
CID 88745593
4-hydroxy-4-methyl-3-oxononanoic acid
CID 87314899
2-hydroxy-2-iodopentanoic acid
CID 23071156
tert-butylcarbamic acid;piperazine
CID 70137961
2-[(2-aminoacetyl)amino]-2-methylpentanoic acid
CID 61159879

Frequently Asked Questions

What is the IUPAC name of 2-(carboxyamino)pentan-2-ylcarbamic acid?
The IUPAC name of 2-(carboxyamino)pentan-2-ylcarbamic acid (CID 174501880) is 2-(carboxyamino)pentan-2-ylcarbamic acid.
What is the SMILES notation for 2-(carboxyamino)pentan-2-ylcarbamic acid?
The canonical SMILES for 2-(carboxyamino)pentan-2-ylcarbamic acid is CCCC(C)(NC(=O)O)NC(=O)O.
What is the InChIKey of 2-(carboxyamino)pentan-2-ylcarbamic acid?
The InChIKey is AZJFYCOAGPGLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-3-4-7(2,8-5(10)11)9-6(12)13/h8-9H,3-4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-(carboxyamino)pentan-2-ylcarbamic acid?
2-(carboxyamino)pentan-2-ylcarbamic acid has a molecular weight of 190.20 g/mol, XLogP of 1.04, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxyamino)pentan-2-ylcarbamic acid is sourced from PubChem (CID 174501880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).