(E)-3-(2-carbamoyloxyethylamino)prop-2-enoic acid

C6H10N2O4 — CID 103262191

IUPAC(E)-3-(2-carbamoyloxyethylamino)prop-2-enoic acid
SMILESNC(=O)OCCN/C=C/C(=O)O
InChIInChI=1S/C6H10N2O4/c7-6(11)12-4-3-8-2-1-5(9)10/h1-2,8H,3-4H2,(H2,7,11)(H,9,10)/b2-1+
InChIKeyZOVGNRHQWXXYNM-OWOJBTEDSA-N
MW174.16 g/mol
LogP-0.73
Rot. Bonds5

About (E)-3-(2-carbamoyloxyethylamino)prop-2-enoic acid

(E)-3-(2-carbamoyloxyethylamino)prop-2-enoic acid (PubChem CID 103262191) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is (E)-3-(2-carbamoyloxyethylamino)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2-carbamoyloxyethylamino)prop-2-enoic acid
PubChem CID103262191
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name(E)-3-(2-carbamoyloxyethylamino)prop-2-enoic acid
SMILESNC(=O)OCCN/C=C/C(=O)O
InChIInChI=1S/C6H10N2O4/c7-6(11)12-4-3-8-2-1-5(9)10/h1-2,8H,3-4H2,(H2,7,11)(H,9,10)/b2-1+
InChIKeyZOVGNRHQWXXYNM-OWOJBTEDSA-N
XLogP-0.73
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(2-carbamoyloxyethylcarbamoylamino)-4-oxobut-2-enoic acid
CID 83203258
(E)-3-[3-(2-hydroxyethoxy)propylamino]prop-2-enoic acid
CID 106305455
(E)-3-(4-propan-2-yloxybutylamino)prop-2-enoic acid
CID 106004062
3-(pentylamino)prop-2-enoic acid
CID 87260635
3-(ethylamino)prop-2-enoic acid
CID 87091440
(E)-3-[[2-(dimethylamino)-2-oxoethyl]amino]prop-2-enoic acid
CID 103237552
3-(2,2-dihydroxyethylamino)prop-2-enoic acid
CID 175378330
(E)-3-[3-(2-carbamoyloxyethylcarbamoyl)phenyl]prop-2-enoic acid
CID 83203653
2-(2-carbamoyloxyethylamino)propanoic acid
CID 83210628
(E)-3-[(2,2-difluoro-3-hydroxypropyl)amino]prop-2-enoic acid
CID 106178212
2-(propan-2-ylamino)ethyl carbamate
CID 79338127
2-[(3-amino-3-oxopropyl)amino]ethyl carbamate
CID 83211468

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-carbamoyloxyethylamino)prop-2-enoic acid?
The IUPAC name of (E)-3-(2-carbamoyloxyethylamino)prop-2-enoic acid (CID 103262191) is (E)-3-(2-carbamoyloxyethylamino)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(2-carbamoyloxyethylamino)prop-2-enoic acid?
The canonical SMILES for (E)-3-(2-carbamoyloxyethylamino)prop-2-enoic acid is NC(=O)OCCN/C=C/C(=O)O.
What is the InChIKey of (E)-3-(2-carbamoyloxyethylamino)prop-2-enoic acid?
The InChIKey is ZOVGNRHQWXXYNM-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H10N2O4/c7-6(11)12-4-3-8-2-1-5(9)10/h1-2,8H,3-4H2,(H2,7,11)(H,9,10)/b2-1+.
What are the key properties of (E)-3-(2-carbamoyloxyethylamino)prop-2-enoic acid?
(E)-3-(2-carbamoyloxyethylamino)prop-2-enoic acid has a molecular weight of 174.16 g/mol, XLogP of -0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-carbamoyloxyethylamino)prop-2-enoic acid is sourced from PubChem (CID 103262191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).