[2-[(carboxyamino)methyl]-3,3-dimethylbutyl]carbamic acid

C9H18N2O4 — CID 90470587

IUPAC[2-[(carboxyamino)methyl]-3,3-dimethylbutyl]carbamic acid
SMILESCC(C)(C)C(CNC(=O)O)CNC(=O)O
InChIInChI=1S/C9H18N2O4/c1-9(2,3)6(4-10-7(12)13)5-11-8(14)15/h6,10-11H,4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyDKXGYFVZQPEBST-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.18
Rot. Bonds4

About [2-[(carboxyamino)methyl]-3,3-dimethylbutyl]carbamic acid

[2-[(carboxyamino)methyl]-3,3-dimethylbutyl]carbamic acid (PubChem CID 90470587) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is [2-[(carboxyamino)methyl]-3,3-dimethylbutyl]carbamic acid.

Molecular Properties

Compound Name[2-[(carboxyamino)methyl]-3,3-dimethylbutyl]carbamic acid
PubChem CID90470587
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name[2-[(carboxyamino)methyl]-3,3-dimethylbutyl]carbamic acid
SMILESCC(C)(C)C(CNC(=O)O)CNC(=O)O
InChIInChI=1S/C9H18N2O4/c1-9(2,3)6(4-10-7(12)13)5-11-8(14)15/h6,10-11H,4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyDKXGYFVZQPEBST-UHFFFAOYSA-N
XLogP1.18
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-dimethyl-2-sulfanylbutyl)carbamic acid
CID 87374025
(2-aminooxy-3,3-dimethylbutyl)carbamic acid
CID 146400959
(2-hydroxy-3-methylbutyl)carbamic acid
CID 135330394
[(2R)-2-amino-4,4-dimethylpentyl]carbamic acid
CID 87077916
5-[(2-tert-butyl-4,4-dimethylpentyl)amino]-5-oxopentanoic acid
CID 89215888
2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid
CID 83143356
[(2S)-2-methylbutyl]carbamic acid
CID 147069594
2,2-dimethoxyethylcarbamic acid
CID 18938836
[2-amino-3-tert-butyl-1-(carboxyamino)-4,4-dimethylpentan-3-yl]carbamic acid
CID 57453886
(3,3-difluoro-2-methylpropyl)carbamic acid
CID 88688289
[2-(hydroxyamino)-2-(methylamino)ethyl]carbamic acid
CID 167254522
[(4S)-4-(methoxymethyl)-2,5,5-trimethylhexan-2-yl]carbamic acid
CID 175357613

Frequently Asked Questions

What is the IUPAC name of [2-[(carboxyamino)methyl]-3,3-dimethylbutyl]carbamic acid?
The IUPAC name of [2-[(carboxyamino)methyl]-3,3-dimethylbutyl]carbamic acid (CID 90470587) is [2-[(carboxyamino)methyl]-3,3-dimethylbutyl]carbamic acid.
What is the SMILES notation for [2-[(carboxyamino)methyl]-3,3-dimethylbutyl]carbamic acid?
The canonical SMILES for [2-[(carboxyamino)methyl]-3,3-dimethylbutyl]carbamic acid is CC(C)(C)C(CNC(=O)O)CNC(=O)O.
What is the InChIKey of [2-[(carboxyamino)methyl]-3,3-dimethylbutyl]carbamic acid?
The InChIKey is DKXGYFVZQPEBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(2,3)6(4-10-7(12)13)5-11-8(14)15/h6,10-11H,4-5H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of [2-[(carboxyamino)methyl]-3,3-dimethylbutyl]carbamic acid?
[2-[(carboxyamino)methyl]-3,3-dimethylbutyl]carbamic acid has a molecular weight of 218.25 g/mol, XLogP of 1.18, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(carboxyamino)methyl]-3,3-dimethylbutyl]carbamic acid is sourced from PubChem (CID 90470587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).