5-[bis(prop-2-ynyl)amino]-5-oxopentanoic acid

C11H13NO3 — CID 20583727

IUPAC5-[bis(prop-2-ynyl)amino]-5-oxopentanoic acid
SMILESC#CCN(CC#C)C(=O)CCCC(=O)O
InChIInChI=1S/C11H13NO3/c1-3-8-12(9-4-2)10(13)6-5-7-11(14)15/h1-2H,5-9H2,(H,14,15)
InChIKeyMFKCTIQDSCWQOZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.34
Rot. Bonds6

About 5-[bis(prop-2-ynyl)amino]-5-oxopentanoic acid

5-[bis(prop-2-ynyl)amino]-5-oxopentanoic acid (PubChem CID 20583727) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-[bis(prop-2-ynyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[bis(prop-2-ynyl)amino]-5-oxopentanoic acid
PubChem CID20583727
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name5-[bis(prop-2-ynyl)amino]-5-oxopentanoic acid
SMILESC#CCN(CC#C)C(=O)CCCC(=O)O
InChIInChI=1S/C11H13NO3/c1-3-8-12(9-4-2)10(13)6-5-7-11(14)15/h1-2H,5-9H2,(H,14,15)
InChIKeyMFKCTIQDSCWQOZ-UHFFFAOYSA-N
XLogP0.34
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-N-prop-2-ynylhept-6-ynamide
CID 100693699
2-chloro-N,N-bis(prop-2-ynyl)acetamide
CID 55303695
12-(diethylamino)-12-oxododecanoic acid
CID 19794003
3-[2-carboxyethyl(6-oxooct-7-ynoyl)amino]propanoic acid
CID 161467763
2-[propanoyl(prop-2-ynyl)amino]acetic acid
CID 79280271
5-[[ethyl(prop-2-ynyl)carbamoyl]amino]hexanoic acid
CID 82848607
2-[(2-aminoacetyl)-prop-2-ynylamino]acetic acid
CID 79275320
6,6-dideuteriooct-7-ynoic acid
CID 168934307
4-ethoxy-N-propyl-N-prop-2-ynylbutanamide
CID 78970496
erbium;pentanedioic acid
CID 87931794
azane;bis(pentanedioic acid)
CID 138524332
CID 87067075
CID 87067075

Frequently Asked Questions

What is the IUPAC name of 5-[bis(prop-2-ynyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[bis(prop-2-ynyl)amino]-5-oxopentanoic acid (CID 20583727) is 5-[bis(prop-2-ynyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[bis(prop-2-ynyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[bis(prop-2-ynyl)amino]-5-oxopentanoic acid is C#CCN(CC#C)C(=O)CCCC(=O)O.
What is the InChIKey of 5-[bis(prop-2-ynyl)amino]-5-oxopentanoic acid?
The InChIKey is MFKCTIQDSCWQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-3-8-12(9-4-2)10(13)6-5-7-11(14)15/h1-2H,5-9H2,(H,14,15).
What are the key properties of 5-[bis(prop-2-ynyl)amino]-5-oxopentanoic acid?
5-[bis(prop-2-ynyl)amino]-5-oxopentanoic acid has a molecular weight of 207.23 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(prop-2-ynyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 20583727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).