2-[(6-amino-4,4-dimethylhexanoyl)-(cyclopropylmethyl)amino]acetic acid

C14H26N2O3 — CID 65292062

IUPAC2-[(6-amino-4,4-dimethylhexanoyl)-(cyclopropylmethyl)amino]acetic acid
SMILESCC(C)(CCN)CCC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C14H26N2O3/c1-14(2,7-8-15)6-5-12(17)16(10-13(18)19)9-11-3-4-11/h11H,3-10,15H2,1-2H3,(H,18,19)
InChIKeyNWNADBTXDJLUIH-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.46
Rot. Bonds9

About 2-[(6-amino-4,4-dimethylhexanoyl)-(cyclopropylmethyl)amino]acetic acid

2-[(6-amino-4,4-dimethylhexanoyl)-(cyclopropylmethyl)amino]acetic acid (PubChem CID 65292062) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(6-amino-4,4-dimethylhexanoyl)-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-amino-4,4-dimethylhexanoyl)-(cyclopropylmethyl)amino]acetic acid
PubChem CID65292062
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[(6-amino-4,4-dimethylhexanoyl)-(cyclopropylmethyl)amino]acetic acid
SMILESCC(C)(CCN)CCC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C14H26N2O3/c1-14(2,7-8-15)6-5-12(17)16(10-13(18)19)9-11-3-4-11/h11H,3-10,15H2,1-2H3,(H,18,19)
InChIKeyNWNADBTXDJLUIH-UHFFFAOYSA-N
XLogP1.46
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl-[2-(2,2-dimethylpropanoylamino)acetyl]amino]acetic acid
CID 43655471
6-amino-N,4,4-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]hexanamide
CID 65291673
6-amino-N-ethyl-4,4-dimethyl-N-(oxolan-2-ylmethyl)hexanamide
CID 65292320
2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid
CID 79805439
2-[cyclopropylmethyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid
CID 113471940
2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid
CID 114111594
2-[tert-butyl(cyclopropylmethyl)amino]acetic acid
CID 79268654
6-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4,4-dimethylhexanamide
CID 79379068
2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)amino]acetic acid
CID 43655362
2-[cyclopropylmethyl(4-phenylsulfanylbutanoyl)amino]acetic acid
CID 43655413
6-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4,4-dimethylhexanamide
CID 65290444
2-[cyclopropylmethyl-[methyl(2-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 63960082

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-4,4-dimethylhexanoyl)-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(6-amino-4,4-dimethylhexanoyl)-(cyclopropylmethyl)amino]acetic acid (CID 65292062) is 2-[(6-amino-4,4-dimethylhexanoyl)-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-amino-4,4-dimethylhexanoyl)-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(6-amino-4,4-dimethylhexanoyl)-(cyclopropylmethyl)amino]acetic acid is CC(C)(CCN)CCC(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[(6-amino-4,4-dimethylhexanoyl)-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is NWNADBTXDJLUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,7-8-15)6-5-12(17)16(10-13(18)19)9-11-3-4-11/h11H,3-10,15H2,1-2H3,(H,18,19).
What are the key properties of 2-[(6-amino-4,4-dimethylhexanoyl)-(cyclopropylmethyl)amino]acetic acid?
2-[(6-amino-4,4-dimethylhexanoyl)-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 1.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-4,4-dimethylhexanoyl)-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 65292062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).