2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid

C13H24N2O3 — CID 43656855

IUPAC2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
SMILESCC(C)C(C)NC(=O)CN(CC(=O)O)CC1CC1
InChIInChI=1S/C13H24N2O3/c1-9(2)10(3)14-12(16)7-15(8-13(17)18)6-11-4-5-11/h9-11H,4-8H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyFYBLSRIRFOOOPG-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.94
Rot. Bonds8

About 2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid

2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid (PubChem CID 43656855) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
PubChem CID43656855
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
SMILESCC(C)C(C)NC(=O)CN(CC(=O)O)CC1CC1
InChIInChI=1S/C13H24N2O3/c1-9(2)10(3)14-12(16)7-15(8-13(17)18)6-11-4-5-11/h9-11H,4-8H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyFYBLSRIRFOOOPG-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 107425454
2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276238
2-[methyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 43442431
2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 43656480
2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 43656905
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656726
N-(3-methylbutan-2-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]acetamide
CID 79714649
2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid
CID 65054998
2-[cyclopropylmethyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]acetic acid
CID 43656806
2-[cyclopropylmethyl(2-methylpentyl)amino]acetic acid
CID 62265201
2-[cyclopropylmethyl-[2-(diethylamino)ethyl]amino]acetic acid
CID 43656536
2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid
CID 43656684

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid (CID 43656855) is 2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid is CC(C)C(C)NC(=O)CN(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid?
The InChIKey is FYBLSRIRFOOOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)10(3)14-12(16)7-15(8-13(17)18)6-11-4-5-11/h9-11H,4-8H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43656855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).