2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid

C11H22N2O3 — CID 61471634

IUPAC2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid
SMILESCCC(NC(=O)N(CC)CC(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-5-9(8(3)4)12-11(16)13(6-2)7-10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyAYRGWRHZJIZBSS-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.54
Rot. Bonds6

About 2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid

2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid (PubChem CID 61471634) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid
PubChem CID61471634
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid
SMILESCCC(NC(=O)N(CC)CC(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-5-9(8(3)4)12-11(16)13(6-2)7-10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyAYRGWRHZJIZBSS-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-ethylamino]acetic acid
CID 106346590
2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid
CID 61479072
2-[carboxymethyl(3,3-dimethylbutan-2-ylcarbamoyl)amino]acetic acid
CID 104829180
2-[[butan-2-yl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 61198906
2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184764
2-[ethyl(octan-4-ylcarbamoyl)amino]acetic acid
CID 113364267
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271724
2-[2,3-dimethylpentanoyl(ethyl)amino]acetic acid
CID 120519831
2-[ethyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid
CID 65042694
2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 65048420
2-[4-methylhexan-2-ylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 79284470
(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid
CID 79010051

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid (CID 61471634) is 2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid is CCC(NC(=O)N(CC)CC(=O)O)C(C)C.
What is the InChIKey of 2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid?
The InChIKey is AYRGWRHZJIZBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-9(8(3)4)12-11(16)13(6-2)7-10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid?
2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid has a molecular weight of 230.31 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61471634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).