2-[cyclopropyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid

C13H24N2O3 — CID 54945162

IUPAC2-[cyclopropyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCC(C)CCNC(=O)C(C)N(CC(=O)O)C1CC1
InChIInChI=1S/C13H24N2O3/c1-9(2)6-7-14-13(18)10(3)15(8-12(16)17)11-4-5-11/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyYQKSVOQKBUIZCW-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds8

About 2-[cyclopropyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid

2-[cyclopropyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid (PubChem CID 54945162) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
PubChem CID54945162
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[cyclopropyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCC(C)CCNC(=O)C(C)N(CC(=O)O)C1CC1
InChIInChI=1S/C13H24N2O3/c1-9(2)6-7-14-13(18)10(3)15(8-12(16)17)11-4-5-11/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyYQKSVOQKBUIZCW-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54945067
2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54900395
ethyl 2-[cyclopropyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]acetate
CID 62027223
2-(N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]anilino)acetic acid
CID 60839596
2-[cyclopentyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]acetic acid
CID 60833964
2-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylbutyl)acetamide
CID 113147921
3-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 61010363
2-[cyclopropyl-[2-(3,3-diphenylpropylamino)-2-oxoethyl]amino]propanoic acid
CID 122100872
2-[(1,1-dioxothiolan-3-yl)-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid
CID 60839549
2-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]-N-(2-methylpropyl)propanamide
CID 60800201
2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide
CID 79112238
3-[cyclopropyl(5-methylhexylcarbamoyl)amino]propanoic acid
CID 113287750

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid (CID 54945162) is 2-[cyclopropyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid is CC(C)CCNC(=O)C(C)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid?
The InChIKey is YQKSVOQKBUIZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)6-7-14-13(18)10(3)15(8-12(16)17)11-4-5-11/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[cyclopropyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid?
2-[cyclopropyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid is sourced from PubChem (CID 54945162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).