2-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid

C14H29N3O4 — CID 79270901

IUPAC2-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NC(CC(C)C)CN(C)C
InChIInChI=1S/C14H29N3O4/c1-11(2)8-12(9-16(3)4)15-14(20)17(6-7-21-5)10-13(18)19/h11-12H,6-10H2,1-5H3,(H,15,20)(H,18,19)
InChIKeyPEFCXUAMANZTJA-UHFFFAOYSA-N
MW303.40 g/mol
LogP0.71
Rot. Bonds10

About 2-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid

2-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 79270901) has the molecular formula C14H29N3O4 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
PubChem CID79270901
Molecular FormulaC14H29N3O4
Molecular Weight303.40 g/mol
Exact Mass303.22
IUPAC Name2-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NC(CC(C)C)CN(C)C
InChIInChI=1S/C14H29N3O4/c1-11(2)8-12(9-16(3)4)15-14(20)17(6-7-21-5)10-13(18)19/h11-12H,6-10H2,1-5H3,(H,15,20)(H,18,19)
InChIKeyPEFCXUAMANZTJA-UHFFFAOYSA-N
XLogP0.71
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid
CID 79271343
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271724
2-[(1-amino-1-oxopropan-2-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272265
2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79271931
2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2-methoxyethylamino)acetamide
CID 79281897
2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid
CID 79272017
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 54947939
2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269666
2-[cyclopropylmethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269872
[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 61059405
2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid
CID 79270902

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid (CID 79270901) is 2-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)NC(CC(C)C)CN(C)C.
What is the InChIKey of 2-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is PEFCXUAMANZTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O4/c1-11(2)8-12(9-16(3)4)15-14(20)17(6-7-21-5)10-13(18)19/h11-12H,6-10H2,1-5H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid?
2-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 303.40 g/mol, XLogP of 0.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79270901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).