4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid

C12H24N2O3 — CID 81069914

IUPAC4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCCN(CC(C)C)C(=O)NCC(C)CC(=O)O
InChIInChI=1S/C12H24N2O3/c1-5-14(8-9(2)3)12(17)13-7-10(4)6-11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyMVZHRPLEWFNETA-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.78
Rot. Bonds7

About 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid

4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid (PubChem CID 81069914) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
PubChem CID81069914
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCCN(CC(C)C)C(=O)NCC(C)CC(=O)O
InChIInChI=1S/C12H24N2O3/c1-5-14(8-9(2)3)12(17)13-7-10(4)6-11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyMVZHRPLEWFNETA-UHFFFAOYSA-N
XLogP1.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 81069762
4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 81069497
5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62966207
4-[[ethyl-[2-(2-hydroxyethoxy)ethyl]carbamoyl]amino]-3-methylbutanoic acid
CID 114263858
4-[bis(2-hydroxyethyl)carbamoylamino]-3-methylbutanoic acid
CID 81069035
3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid
CID 81068960
5-(diethylcarbamoylamino)-4-methylpentanoic acid
CID 82684112
3-methyl-4-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 112662992
3-methyl-4-[[methyl(propan-2-yl)carbamoyl]amino]butanoic acid
CID 81072394
3-methyl-4-(propanoylamino)butanoic acid
CID 81063139
1-ethyl-3-methyl-1-(2-methylpropyl)urea
CID 59108349
2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 113363878

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid?
The IUPAC name of 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid (CID 81069914) is 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid is CCN(CC(C)C)C(=O)NCC(C)CC(=O)O.
What is the InChIKey of 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid?
The InChIKey is MVZHRPLEWFNETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-14(8-9(2)3)12(17)13-7-10(4)6-11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid?
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 81069914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).