3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid

C14H28N2O3 — CID 60986904

IUPAC3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid
SMILESCC(C)CCCC(C)NC(=O)CN(C)CCC(=O)O
InChIInChI=1S/C14H28N2O3/c1-11(2)6-5-7-12(3)15-13(17)10-16(4)9-8-14(18)19/h11-12H,5-10H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyDPGFESXXRYVOHD-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.72
Rot. Bonds10

About 3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid

3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid (PubChem CID 60986904) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid
PubChem CID60986904
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid
SMILESCC(C)CCCC(C)NC(=O)CN(C)CCC(=O)O
InChIInChI=1S/C14H28N2O3/c1-11(2)6-5-7-12(3)15-13(17)10-16(4)9-8-14(18)19/h11-12H,5-10H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyDPGFESXXRYVOHD-UHFFFAOYSA-N
XLogP1.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(heptan-2-ylamino)-2-oxoethyl]-methylamino]butanoic acid
CID 55006561
methyl 2-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetate
CID 60670456
3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid
CID 62229876
2-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 54900250
4-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]butanoic acid
CID 55005840
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(6-methylheptan-2-yl)acetamide
CID 79652457
2-[3,7-dimethyloctyl(methyl)amino]acetic acid
CID 169208781
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(6-methylheptan-2-yl)acetamide
CID 112548702
3-[[2-(butan-2-ylamino)-2-oxoethyl]-(3-methylbutyl)amino]propanoic acid
CID 82327356
N-(6-methylheptan-2-yl)butanamide
CID 60644759
2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide
CID 71891384
5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
CID 82848330

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid (CID 60986904) is 3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid is CC(C)CCCC(C)NC(=O)CN(C)CCC(=O)O.
What is the InChIKey of 3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is DPGFESXXRYVOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(2)6-5-7-12(3)15-13(17)10-16(4)9-8-14(18)19/h11-12H,5-10H2,1-4H3,(H,15,17)(H,18,19).
What are the key properties of 3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid?
3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.72, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 60986904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).