2-[cyclopropylmethyl-[2-(2,2-dimethylpropanoylamino)acetyl]amino]acetic acid

C13H22N2O4 — CID 43655471

IUPAC2-[cyclopropylmethyl-[2-(2,2-dimethylpropanoylamino)acetyl]amino]acetic acid
SMILESCC(C)(C)C(=O)NCC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C13H22N2O4/c1-13(2,3)12(19)14-6-10(16)15(8-11(17)18)7-9-4-5-9/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyFLDDYHVJQGEFRV-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.47
Rot. Bonds6

About 2-[cyclopropylmethyl-[2-(2,2-dimethylpropanoylamino)acetyl]amino]acetic acid

2-[cyclopropylmethyl-[2-(2,2-dimethylpropanoylamino)acetyl]amino]acetic acid (PubChem CID 43655471) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-(2,2-dimethylpropanoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-(2,2-dimethylpropanoylamino)acetyl]amino]acetic acid
PubChem CID43655471
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[cyclopropylmethyl-[2-(2,2-dimethylpropanoylamino)acetyl]amino]acetic acid
SMILESCC(C)(C)C(=O)NCC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C13H22N2O4/c1-13(2,3)12(19)14-6-10(16)15(8-11(17)18)7-9-4-5-9/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyFLDDYHVJQGEFRV-UHFFFAOYSA-N
XLogP0.47
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Glycine, L-alanyl-L-valyl-
CID 452666
2-[Propyl-[2-[propyl-[2-(propylamino)acetyl]amino]acetyl]amino]acetic acid
CID 44291613
N-(N-DL-Valylglycyl)glycine
CID 295552
Val-Val-Gly
CID 7014909
Gly-Val-Gly
CID 11665805
H-Val-gly-gly-OH
CID 7004847
L-Valyl-L-alanylglycine
CID 71364512
D-Valylglycylglycin
CID 36689443
2-[[2-(2,2-Dimethylpropanoylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79260592
Glycine, N-(2-methylpropyl)-N-[N-(2-methylpropyl)glycyl]-
CID 85643353
2-[(2-Acetamidoacetyl)-(2-methylpropyl)amino]acetic acid
CID 63072379
2-[[2-(2-Aminopropanoylamino)-3-methylbutanoyl]amino]acetic acid
CID 10198749

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-(2,2-dimethylpropanoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-(2,2-dimethylpropanoylamino)acetyl]amino]acetic acid (CID 43655471) is 2-[cyclopropylmethyl-[2-(2,2-dimethylpropanoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-(2,2-dimethylpropanoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-(2,2-dimethylpropanoylamino)acetyl]amino]acetic acid is CC(C)(C)C(=O)NCC(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[2-(2,2-dimethylpropanoylamino)acetyl]amino]acetic acid?
The InChIKey is FLDDYHVJQGEFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(2,3)12(19)14-6-10(16)15(8-11(17)18)7-9-4-5-9/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-[2-(2,2-dimethylpropanoylamino)acetyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-(2,2-dimethylpropanoylamino)acetyl]amino]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-(2,2-dimethylpropanoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 43655471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).