2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-prop-2-ynylamino]acetic acid

C11H15N3O4 — CID 79273289

IUPAC2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)CC(=O)NC(=O)NC1CC1
InChIInChI=1S/C11H15N3O4/c1-2-5-14(7-10(16)17)6-9(15)13-11(18)12-8-3-4-8/h1,8H,3-7H2,(H,16,17)(H2,12,13,15,18)
InChIKeyFAQKSNIRTPVHOH-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.01
Rot. Bonds6

About 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-prop-2-ynylamino]acetic acid

2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-prop-2-ynylamino]acetic acid (PubChem CID 79273289) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-prop-2-ynylamino]acetic acid
PubChem CID79273289
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)CC(=O)NC(=O)NC1CC1
InChIInChI=1S/C11H15N3O4/c1-2-5-14(7-10(16)17)6-9(15)13-11(18)12-8-3-4-8/h1,8H,3-7H2,(H,16,17)(H2,12,13,15,18)
InChIKeyFAQKSNIRTPVHOH-UHFFFAOYSA-N
XLogP-1.01
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656726
2-[cyclopentyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 47126757
2-[cyclohexyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 40706155
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-prop-2-ynylamino]acetic acid
CID 79283180
N-cyclopropyl-2-[methyl(prop-2-ynyl)amino]acetamide
CID 60670124
2-[cycloheptylmethyl(prop-2-ynyl)amino]acetic acid
CID 79287703
3-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60840718
N-(cyclopropylcarbamoyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 113246277
3-[carboxymethyl(prop-2-ynyl)amino]propanoic acid
CID 82330647
N-(cyclopropylcarbamoyl)-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 47113229
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 62638909
N-(cyclopropylcarbamoyl)-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119913095

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-prop-2-ynylamino]acetic acid (CID 79273289) is 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-prop-2-ynylamino]acetic acid is C#CCN(CC(=O)O)CC(=O)NC(=O)NC1CC1.
What is the InChIKey of 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-prop-2-ynylamino]acetic acid?
The InChIKey is FAQKSNIRTPVHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-5-14(7-10(16)17)6-9(15)13-11(18)12-8-3-4-8/h1,8H,3-7H2,(H,16,17)(H2,12,13,15,18).
What are the key properties of 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-prop-2-ynylamino]acetic acid?
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-prop-2-ynylamino]acetic acid has a molecular weight of 253.26 g/mol, XLogP of -1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-prop-2-ynylamino]acetic acid is sourced from PubChem (CID 79273289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).