2-[(2-acetamido-3-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid

C13H22N2O4 — CID 43655374

IUPAC2-[(2-acetamido-3-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid
SMILESCC(=O)NC(C(=O)N(CC(=O)O)CC1CC1)C(C)C
InChIInChI=1S/C13H22N2O4/c1-8(2)12(14-9(3)16)13(19)15(7-11(17)18)6-10-4-5-10/h8,10,12H,4-7H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyXZNOVXKOEUFIEX-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.47
Rot. Bonds7

About 2-[(2-acetamido-3-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid

2-[(2-acetamido-3-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid (PubChem CID 43655374) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[(2-acetamido-3-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-acetamido-3-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid
PubChem CID43655374
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[(2-acetamido-3-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid
SMILESCC(=O)NC(C(=O)N(CC(=O)O)CC1CC1)C(C)C
InChIInChI=1S/C13H22N2O4/c1-8(2)12(14-9(3)16)13(19)15(7-11(17)18)6-10-4-5-10/h8,10,12H,4-7H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyXZNOVXKOEUFIEX-UHFFFAOYSA-N
XLogP0.47
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid
CID 43655102
2-[cyclopropylmethyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid
CID 115730572
2-acetamido-N,N-diethyl-3-methylbutanamide
CID 60635909
2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 79022935
3-[(2-acetamido-3-methylbutanoyl)-ethylamino]propanoic acid
CID 61008107
2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid
CID 54959971
2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 65048420
2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869519
2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63954013
2-[cyclopropylmethyl-[ethyl(propan-2-yl)carbamoyl]amino]acetic acid
CID 43656094
3-[(2-acetamido-3-methylbutanoyl)-tert-butylamino]propanoic acid
CID 60825146
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 76894221

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamido-3-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(2-acetamido-3-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid (CID 43655374) is 2-[(2-acetamido-3-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-acetamido-3-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-acetamido-3-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid is CC(=O)NC(C(=O)N(CC(=O)O)CC1CC1)C(C)C.
What is the InChIKey of 2-[(2-acetamido-3-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is XZNOVXKOEUFIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-8(2)12(14-9(3)16)13(19)15(7-11(17)18)6-10-4-5-10/h8,10,12H,4-7H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(2-acetamido-3-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid?
2-[(2-acetamido-3-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamido-3-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 43655374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).