2-[cyclopropylmethyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]acetic acid

C15H24N2O3 — CID 43656806

IUPAC2-[cyclopropylmethyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]acetic acid
SMILESC#CC(CC)(CC)NC(=O)CN(CC(=O)O)CC1CC1
InChIInChI=1S/C15H24N2O3/c1-4-15(5-2,6-3)16-13(18)10-17(11-14(19)20)9-12-7-8-12/h1,12H,5-11H2,2-3H3,(H,16,18)(H,19,20)
InChIKeyXYGRVVZGKYMTAI-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.09
Rot. Bonds9

About 2-[cyclopropylmethyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]acetic acid

2-[cyclopropylmethyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]acetic acid (PubChem CID 43656806) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]acetic acid
PubChem CID43656806
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[cyclopropylmethyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]acetic acid
SMILESC#CC(CC)(CC)NC(=O)CN(CC(=O)O)CC1CC1
InChIInChI=1S/C15H24N2O3/c1-4-15(5-2,6-3)16-13(18)10-17(11-14(19)20)9-12-7-8-12/h1,12H,5-11H2,2-3H3,(H,16,18)(H,19,20)
InChIKeyXYGRVVZGKYMTAI-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276207
2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 43656480
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 102870226
2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 43656855
2-(cyclohexylmethylamino)-N-(3-ethylpent-1-yn-3-yl)acetamide;methanamine
CID 143903152
2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 43656905
2-[cyclopropylmethyl-[2-(diethylamino)ethyl]amino]acetic acid
CID 43656536
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656726
2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid
CID 43656684
2-(3-aminoazetidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 65249512
2-[cycloheptylmethyl(prop-2-ynyl)amino]acetic acid
CID 79287703
2-[cyclopropylmethyl(2-ethylbutyl)amino]acetic acid
CID 65054998

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]acetic acid (CID 43656806) is 2-[cyclopropylmethyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]acetic acid is C#CC(CC)(CC)NC(=O)CN(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]acetic acid?
The InChIKey is XYGRVVZGKYMTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-15(5-2,6-3)16-13(18)10-17(11-14(19)20)9-12-7-8-12/h1,12H,5-11H2,2-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-[cyclopropylmethyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]acetic acid has a molecular weight of 280.37 g/mol, XLogP of 1.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43656806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).