2-(ethoxycarbonylamino)-2-ethylbutanoic acid

C9H17NO4 — CID 79806785

IUPAC2-(ethoxycarbonylamino)-2-ethylbutanoic acid
SMILESCCOC(=O)NC(CC)(CC)C(=O)O
InChIInChI=1S/C9H17NO4/c1-4-9(5-2,7(11)12)10-8(13)14-6-3/h4-6H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyKKAKAACKSDJEGB-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.38
Rot. Bonds5

About 2-(ethoxycarbonylamino)-2-ethylbutanoic acid

2-(ethoxycarbonylamino)-2-ethylbutanoic acid (PubChem CID 79806785) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(ethoxycarbonylamino)-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-(ethoxycarbonylamino)-2-ethylbutanoic acid
PubChem CID79806785
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-(ethoxycarbonylamino)-2-ethylbutanoic acid
SMILESCCOC(=O)NC(CC)(CC)C(=O)O
InChIInChI=1S/C9H17NO4/c1-4-9(5-2,7(11)12)10-8(13)14-6-3/h4-6H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyKKAKAACKSDJEGB-UHFFFAOYSA-N
XLogP1.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid
CID 79806625
2-[(4-ethoxy-4-oxobutanoyl)amino]-2-ethylbutanoic acid
CID 79806465
2-(ethoxycarbonylamino)-2-formylbutanoic acid
CID 88803904
2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid
CID 79806522
2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-ethylbutanoic acid
CID 79804656
2-(butoxycarbonylamino)-2-propylpentanoic acid
CID 87963773
ethyl N-(1-amino-2-methylpropan-2-yl)carbamate
CID 63194135
ethyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate
CID 3573557
2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]-2-ethylbutanoic acid
CID 79804239
2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-ethylbutanoic acid
CID 112555766
ethyl N-methylcarbamate;2,2,2-trifluoroacetic acid
CID 172727391
2-(1-ethoxypropan-2-ylcarbamoylamino)-2-ethylbutanoic acid
CID 79804072

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxycarbonylamino)-2-ethylbutanoic acid?
The IUPAC name of 2-(ethoxycarbonylamino)-2-ethylbutanoic acid (CID 79806785) is 2-(ethoxycarbonylamino)-2-ethylbutanoic acid.
What is the SMILES notation for 2-(ethoxycarbonylamino)-2-ethylbutanoic acid?
The canonical SMILES for 2-(ethoxycarbonylamino)-2-ethylbutanoic acid is CCOC(=O)NC(CC)(CC)C(=O)O.
What is the InChIKey of 2-(ethoxycarbonylamino)-2-ethylbutanoic acid?
The InChIKey is KKAKAACKSDJEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-4-9(5-2,7(11)12)10-8(13)14-6-3/h4-6H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of 2-(ethoxycarbonylamino)-2-ethylbutanoic acid?
2-(ethoxycarbonylamino)-2-ethylbutanoic acid has a molecular weight of 203.24 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxycarbonylamino)-2-ethylbutanoic acid is sourced from PubChem (CID 79806785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).