2-[[[ethyl(prop-2-ynyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid

C14H24N2O3 — CID 107474577

IUPAC2-[[[ethyl(prop-2-ynyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
SMILESC#CCN(CC)C(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-6-8-16(7-2)13(19)15-10-11(12(17)18)9-14(3,4)5/h1,11H,7-10H2,2-5H3,(H,15,19)(H,17,18)
InChIKeyMYWRTCISELAQLW-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.79
Rot. Bonds6

About 2-[[[ethyl(prop-2-ynyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid

2-[[[ethyl(prop-2-ynyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid (PubChem CID 107474577) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[[ethyl(prop-2-ynyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[[[ethyl(prop-2-ynyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
PubChem CID107474577
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[[[ethyl(prop-2-ynyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
SMILESC#CCN(CC)C(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-6-8-16(7-2)13(19)15-10-11(12(17)18)9-14(3,4)5/h1,11H,7-10H2,2-5H3,(H,15,19)(H,17,18)
InChIKeyMYWRTCISELAQLW-UHFFFAOYSA-N
XLogP1.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[[[ethyl(prop-2-ynyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid with MolForge

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Related Compounds

2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107474068
2-[[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107473869
1-ethyl-3-propyl-1-prop-2-ynylurea
CID 78970040
2-[(2,2-dimethylpropanoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473759
2-[2-(dimethylamino)propylcarbamoyl-prop-2-ynylamino]acetic acid
CID 79284807
2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474332
2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475584
4,4-dimethyl-2-[(pentanoylamino)methyl]pentanoic acid
CID 107474192
4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid
CID 106330622
4,4-dimethyl-2-[(2-methylbutan-2-ylcarbamoylamino)methyl]pentanoic acid
CID 107473764
2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid
CID 65220842
4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid
CID 107474565

Frequently Asked Questions

What is the IUPAC name of 2-[[[ethyl(prop-2-ynyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[[[ethyl(prop-2-ynyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid (CID 107474577) is 2-[[[ethyl(prop-2-ynyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[[[ethyl(prop-2-ynyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[[[ethyl(prop-2-ynyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid is C#CCN(CC)C(=O)NCC(CC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[[ethyl(prop-2-ynyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid?
The InChIKey is MYWRTCISELAQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-6-8-16(7-2)13(19)15-10-11(12(17)18)9-14(3,4)5/h1,11H,7-10H2,2-5H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[[ethyl(prop-2-ynyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid?
2-[[[ethyl(prop-2-ynyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid has a molecular weight of 268.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[ethyl(prop-2-ynyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107474577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).