2-cyclopropyl-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid

C10H16N2O5 — CID 62696389

IUPAC2-cyclopropyl-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
SMILESCCOC(=O)NC(=O)CNC(C(=O)O)C1CC1
InChIInChI=1S/C10H16N2O5/c1-2-17-10(16)12-7(13)5-11-8(9(14)15)6-3-4-6/h6,8,11H,2-5H2,1H3,(H,14,15)(H,12,13,16)
InChIKeyXBRPTNJCEPVKGI-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.29
Rot. Bonds6

About 2-cyclopropyl-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid

2-cyclopropyl-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid (PubChem CID 62696389) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
PubChem CID62696389
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name2-cyclopropyl-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
SMILESCCOC(=O)NC(=O)CNC(C(=O)O)C1CC1
InChIInChI=1S/C10H16N2O5/c1-2-17-10(16)12-7(13)5-11-8(9(14)15)6-3-4-6/h6,8,11H,2-5H2,1H3,(H,14,15)(H,12,13,16)
InChIKeyXBRPTNJCEPVKGI-UHFFFAOYSA-N
XLogP-0.29
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(butylcarbamoylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62696981
2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62696946
2-cyclopropyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 55107911
2-cyclopropyl-2-(2-ethoxypropylamino)acetic acid
CID 103265947
2-cyclopropyl-2-(ethoxyamino)acetic acid
CID 103254508
2-cyclopropyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]amino]acetic acid
CID 62696962
2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid
CID 62696018
2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695436
2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid
CID 62696023
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697339
2-(2-bromoprop-2-enylamino)-2-cyclopropylacetic acid
CID 62695608
2-(butylamino)-2-cyclopropylacetic acid
CID 62696417

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid (CID 62696389) is 2-cyclopropyl-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid is CCOC(=O)NC(=O)CNC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid?
The InChIKey is XBRPTNJCEPVKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-2-17-10(16)12-7(13)5-11-8(9(14)15)6-3-4-6/h6,8,11H,2-5H2,1H3,(H,14,15)(H,12,13,16).
What are the key properties of 2-cyclopropyl-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid?
2-cyclopropyl-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid has a molecular weight of 244.25 g/mol, XLogP of -0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 62696389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).