2-[3-aminopropanoyl(tert-butyl)amino]acetic acid

C9H18N2O3 — CID 79268862

IUPAC2-[3-aminopropanoyl(tert-butyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)CCN
InChIInChI=1S/C9H18N2O3/c1-9(2,3)11(6-8(13)14)7(12)4-5-10/h4-6,10H2,1-3H3,(H,13,14)
InChIKeyRGRIMXNOYLLNJS-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.05
Rot. Bonds4

About 2-[3-aminopropanoyl(tert-butyl)amino]acetic acid

2-[3-aminopropanoyl(tert-butyl)amino]acetic acid (PubChem CID 79268862) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[3-aminopropanoyl(tert-butyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-aminopropanoyl(tert-butyl)amino]acetic acid
PubChem CID79268862
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[3-aminopropanoyl(tert-butyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)CCN
InChIInChI=1S/C9H18N2O3/c1-9(2,3)11(6-8(13)14)7(12)4-5-10/h4-6,10H2,1-3H3,(H,13,14)
InChIKeyRGRIMXNOYLLNJS-UHFFFAOYSA-N
XLogP0.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl(3-ethoxypropanoyl)amino]acetic acid
CID 79265770
2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid
CID 18934288
2-[tert-butyl-[3-(furan-2-yl)propanoyl]amino]acetic acid
CID 79266775
2-[(3-amino-2-methylpropanoyl)-tert-butylamino]acetic acid
CID 79268237
2-[(3-amino-2,2,3-trimethylbutanoyl)-tert-butylamino]acetic acid
CID 79269394
2-[[2-(4-aminopiperidin-1-yl)acetyl]-tert-butylamino]acetic acid
CID 79327827
2-[tert-butyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetic acid
CID 102656329
2-[tert-butyl-[2-(4-hydroxyphenyl)acetyl]amino]acetic acid
CID 79266696
2-[tert-butyl-[2-(4-chlorophenoxy)acetyl]amino]acetic acid
CID 79266477
2-[tert-butyl-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid
CID 79257258
2-[tert-butyl-[2-(2-nitrophenyl)acetyl]amino]acetic acid
CID 79264890
2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid
CID 79266699

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropanoyl(tert-butyl)amino]acetic acid?
The IUPAC name of 2-[3-aminopropanoyl(tert-butyl)amino]acetic acid (CID 79268862) is 2-[3-aminopropanoyl(tert-butyl)amino]acetic acid.
What is the SMILES notation for 2-[3-aminopropanoyl(tert-butyl)amino]acetic acid?
The canonical SMILES for 2-[3-aminopropanoyl(tert-butyl)amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)CCN.
What is the InChIKey of 2-[3-aminopropanoyl(tert-butyl)amino]acetic acid?
The InChIKey is RGRIMXNOYLLNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(2,3)11(6-8(13)14)7(12)4-5-10/h4-6,10H2,1-3H3,(H,13,14).
What are the key properties of 2-[3-aminopropanoyl(tert-butyl)amino]acetic acid?
2-[3-aminopropanoyl(tert-butyl)amino]acetic acid has a molecular weight of 202.25 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropanoyl(tert-butyl)amino]acetic acid is sourced from PubChem (CID 79268862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).